Molecular Weight of (2S)-2,3-dichloropropyl formate (C4H6Cl2O2)
Identification of (2S)-2,3-dichloropropyl formate Chemical Compound
| Chemical Formula | C4H6Cl2O2 |
|---|---|
| Molecular Weight | 156.99464 g/mol |
| IUPAC Name | (2S)-2,3-dichloropropyl formate |
| SMILES String | ClCC(Cl)COC=O |
| InChI | InChI=1S/C4H6Cl2O2/c5-1-4(6)2-8-3-7/h3-4H,1-2H2/t4-/m1/s1 |
| InChIKey | CTNMXUQKJCXVSP-SCSAIBSYSA-N |
Molecular Weight Description
The (2S)-2,3-dichloropropyl formate molecule consists of 6 Hydrogen atom(s), 4 Carbon atom(s), 2 Oxygen atom(s), and 2 Chlorine atom(s) - a total of 14 atom(s). The molecular weight of (2S)-2,3-dichloropropyl formate is determined by the sum of the atomic weights of each constituent element multiplied by the number of atoms, which is calculated to be:
$$ 156.99464 · \frac{g}{mol} $$
The exact term of the above molecular weight is “molar mass”, which is based on the atomic mass of each element. Molecular weight is actually an older term of “relative molar mass” or “molecular mass”, which is a dimensionless quantity equal to the molar mass divided by the molar mass constant defined by 1 g/mol.
Molecular masses are calculated from the standard atomic weights of each nuclide, while molar masses are calculated from the atomic mass of each element. The atomic mass takes into account the isotopic distribution of the element in a given sample.
chemical table area
Search Another Molecular Weight
Enter another compound to search for molecular weight:
Input example for Ethanol:
- Name: ethanol
- CAS #: 64-17-5
- Formula: C2H5OH
- Smiles: CCO
- InChI: InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3
- InChIKey: LFQSCWFLJHTTHZ-UHFFFAOYSA-N
Deep Data Application Examples
Our Deep Data encompasses property data, spectral data, quantum chemical data, and molecular descriptor data for a wide range of chemical compounds. It features more than 2,100 high-quality datasets per single chemical compound, totaling over 8 billion datasets for 4.1+ million chemical compounds. Below are some application examples that may interest you:
- Thermophysical Property Datafile (IK-Cape File) for Process Simulators, e.g., Aspen Plus
- Free Radicals Thermodynamic Data for Oxidation, Combustion, and Thermal Cracking Kinetics
- Quantum Tools for IR Spectra Interpretation
- Instant Access to Molecular Orbitals
- Faster Quantum Calculations with Pre-Computed Results
- Chemical Big Data for Artificial Intelligence (AI) Developments
- Quantum Descriptors for QSAR·QSPR Modeling
- Deep Data Application Overview
Additional Information for Identifying (2S)-2,3-dichloropropyl formate Molecule
-
Structure Data File (SDF/MOL File) of (2S)-2,3-dichloropropyl formate
The structure data file (SDF/MOL File) of (2S)-2,3-dichloropropyl formate is available for download in the SDF page of (2S)-2,3-dichloropropyl formate, which provides the information on atoms, bonds, connectivity and coordinates of (2S)-2,3-dichloropropyl formate. The (2S)-2,3-dichloropropyl formate structure data file can be imported to most of the chemistry-related software, providing three-dimensional visualization and further analysis.
-
Chemical structure of (2S)-2,3-dichloropropyl formate
The molecular structure image of (2S)-2,3-dichloropropyl formate is available in chemical structure page of (2S)-2,3-dichloropropyl formate, which provides the molecular geometry information, i.e., the spatial arrangement of atoms in (2S)-2,3-dichloropropyl formate and the chemical bonds that hold the atoms together.
-
Chemical formula of (2S)-2,3-dichloropropyl formate
The molecular formula of (2S)-2,3-dichloropropyl formate is given in chemical formula page of (2S)-2,3-dichloropropyl formate, which identifies each constituent element by its chemical symbol and indicates the proportionate number of atoms of each element.
-
InChI (IUPAC International Chemical Identifier) information of (2S)-2,3-dichloropropyl formate
In addition to the molecular weight information, the structural information of (2S)-2,3-dichloropropyl formate in a textual expression is available via InChi. The full standard InChI of (2S)-2,3-dichloropropyl formate is given below:
InChI=1S/C4H6Cl2O2/c5-1-4(6)2-8-3-7/h3-4H,1-2H2/t4-/m1/s1
It can provide a way to encode the molecular information of (2S)-2,3-dichloropropyl formate to facilitate the search for the compound information in databases and on the web.
The condensed, 27 character standard InChIKey (hashed version of the full standard InChI) of (2S)-2,3-dichloropropyl formate is:
InChIKey=CTNMXUQKJCXVSP-SCSAIBSYSA-N
It may allow easier web searches for (2S)-2,3-dichloropropyl formate. The InChIKey, however, needs to be linked to the full InChI as well in order to get back to the original structure of the (2S)-2,3-dichloropropyl formate as the full standard InChI cannot be reconstructed from the InChIKey.
-
Other names (synonyms) or registry numbers of (2S)-2,3-dichloropropyl formate
There may be different names of the (2S)-2,3-dichloropropyl formate compound depending on the various situations of industrial applications, which are given below including the registry numbers if available:
None available.
(2S)-2,3-dichloropropyl formate Identification Summary Frequently Asked Questions (FAQs)
| What’s the formula of (2S)-2,3-dichloropropyl formate? |
|---|
| C4H6Cl2O2 |
| How many atoms and what are the elements in the (2S)-2,3-dichloropropyl formate molecule? |
| 14 atom(s) - 6 Hydrogen atom(s), 4 Carbon atom(s), 2 Oxygen atom(s), and 2 Chlorine atom(s) |
| How many chemical bonds and what types of bonds are in the (2S)-2,3-dichloropropyl formate structure? |
| 13 bond(s) - 7 non-H bond(s), 1 multiple bond(s), 3 rotatable bond(s), 1 double bond(s), and 1 ester(s) (aliphatic) |
| What’s the molar mass of (2S)-2,3-dichloropropyl formate? |
| 156.99464 g/mol |
| What’s the SMILES format of (2S)-2,3-dichloropropyl formate? |
| ClCC(Cl)COC=O |
| What’s the InChI format of (2S)-2,3-dichloropropyl formate? |
| InChI=1S/C4H6Cl2O2/c5-1-4(6)2-8-3-7/h3-4H,1-2H2/t4-/m1/s1 |
| What’s the InChIKey string of (2S)-2,3-dichloropropyl formate? |
| CTNMXUQKJCXVSP-SCSAIBSYSA-N |
45
The contents of this page can freely be shared if cited as follows:
Source: Chemical Compounds Deep Data Source (CCDDS; https://www.molinstincts.com) based on 41 patented QSQN and QN
technology
commercialized into Mol-Instincts database and ChemRTP, ChemEssen, Inc (2024).