SDF/Mol File of (R)-4-Chlorobenzhydrol (C13H11ClO)
Identification of (R)-4-Chlorobenzhydrol Chemical Compound
Chemical Formula | C13H11ClO |
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Molecular Weight | 218.67854 g/mol |
IUPAC Name | (R)-(4-chlorophenyl)(phenyl)methanol |
SMILES String | OC(c1ccccc1)c2ccc(Cl)cc2 |
InChI | InChI=1S/C13H11ClO/c14-12-8-6-11(7-9-12)13(15)10-4-2-1-3-5-10/h1-9,13,15H/t13-/m1/s1 |
InChIKey | AJYOOHCNOXWTKJ-CYBMUJFWSA-N |
Structure Data File (SDF/MOL File) Description
The structure data file (SDF/MOL File) of (R)-4-Chlorobenzhydrol is available for download. Click the link below to start downloading.
Download structure data file (SDF/MOL File)
The structure data file (SDF/MOL File) contains the information about the atoms, bonds, connectivity and coordinates of (R)-4-Chlorobenzhydrol molecule. It starts with a header block, followed by "connection table’, which describes the structural relationships and properties of the atoms.
The structure data file (SDF/MOL File) available above can be imported to most of the chemistry-related software packages, performing further scientific analysis. Most of the computational software and visualization program require the structural information of the target molecule, and the above structure data file (SDF/MOL File) can be a good option.
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Additional Information for Identifying (R)-4-Chlorobenzhydrol Molecule
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Chemical structure of (R)-4-Chlorobenzhydrol
By visualizing the structure data file (SDF/MOL File) above, the chemical structure image of (R)-4-Chlorobenzhydrol is available in chemical structure page of (R)-4-Chlorobenzhydrol, which specifies the molecular geometry, i.e., the spatial arrangement of atoms and the chemical bonds that hold the atoms together.
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Molecular weight of (R)-4-Chlorobenzhydrol
The molecular weight of (R)-4-Chlorobenzhydrol is available in molecular weight page of (R)-4-Chlorobenzhydrol, which is calculated as the sum of the atomic masses of each constituent element multiplied by the number of atoms of that element.
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Chemical formula of (R)-4-Chlorobenzhydrol
The chemical formula of (R)-4-Chlorobenzhydrol is given in chemical formula page of (R)-4-Chlorobenzhydrol, which identifies each constituent element by its chemical symbol and indicates the proportionate number of atoms of each element.
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InChI (IUPAC International Chemical Identifier) information of (R)-4-Chlorobenzhydrol
An alternative way of expressing structural information in text format is InChI. The full standard InChI of (R)-4-Chlorobenzhydrol is:
InChI=1S/C13H11ClO/c14-12-8-6-11(7-9-12)13(15)10-4-2-1-3-5-10/h1-9,13,15H/t13-/m1/s1
It can provide a standard way to encode the molecular information of (R)-4-Chlorobenzhydrol 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 (R)-4-Chlorobenzhydrol is:
InChIKey=AJYOOHCNOXWTKJ-CYBMUJFWSA-N
The InChIKey may allow easier web searches for (R)-4-Chlorobenzhydrol, but it needs to be linked to the full InChI to get back to the original structure of the (R)-4-Chlorobenzhydrol since the full standard InChI cannot be reconstructed from the InChIKey.
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Other names (synonyms) or registry numbers of (R)-4-Chlorobenzhydrol
The (R)-4-Chlorobenzhydrol compound may be named differently depending on the various situations of industrial applications. Other names (synonyms) of (R)-4-Chlorobenzhydrol including the registry numbers are listed below, if available:
- A804316
- (R)-(4-chlorophenyl)-phenyl-methanol
- 4-chloro-alpha-phenyl-benzenemethanol
- 4-chloro-alpha-phenyl-benzenemethano
- Benzenemethanol, 4-chloro-alpha-phenyl-, (alphaR)-
- 4-chlorophenyl phenyl carbinol
- (alphaR)-4-Chloro-alpha-phenylbenzenemethanol
- 4-Chlorobenzhydrol, (-)-
- 4-Chlorobenzhydrol, (R)-
- (-)-4-Chlorobenzhydrol
- 4-Chlorodiphenylcarbinol
- 4-Chlorobenzohydrol
- 123535-85-3
- (R)-(4-chlorophenyl)-phenylmethanol
- PA8COP3FYC
- (R)-4-Chlorobenzhydrol
(R)-4-Chlorobenzhydrol Identification Summary Frequently Asked Questions (FAQs)
What’s the (R)-4-Chlorobenzhydrol formula? |
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C13H11ClO |
How many atoms and what elements are included in the (R)-4-Chlorobenzhydrol molecule? |
26 atom(s) - 11 Hydrogen atom(s), 13 Carbon atom(s), 1 Oxygen atom(s), and 1 Chlorine atom(s) |
How many chemical bonds and what kind of bonds are in the (R)-4-Chlorobenzhydrol structure? |
27 bond(s) - 16 non-H bond(s), 12 multiple bond(s), 2 rotatable bond(s), 12 aromatic bond(s), 2 six-membered ring(s), 1 hydroxyl group(s), and 1 secondary alcohol(s) |
What’s the (R)-4-Chlorobenzhydrol’s molar mass? |
218.67854 g/mol |
What’s the SMILES structure of (R)-4-Chlorobenzhydrol? |
OC(c1ccccc1)c2ccc(Cl)cc2 |
What’s the InChI code of (R)-4-Chlorobenzhydrol? |
InChI=1S/C13H11ClO/c14-12-8-6-11(7-9-12)13(15)10-4-2-1-3-5-10/h1-9,13,15H/t13-/m1/s1 |
What’s the InChIKey format of (R)-4-Chlorobenzhydrol? |
AJYOOHCNOXWTKJ-CYBMUJFWSA-N |
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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).