SDF/Mol File of (2-Bromoethoxy)benzene (C8H9BrO)

Structure Data File (SDF/MOL File) Description

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Additional Information for Identifying (2-Bromoethoxy)benzene Molecule

• Chemical structure of (2-Bromoethoxy)benzene

  By visualizing the structure data file (SDF/MOL File) above, the chemical structure image of (2-Bromoethoxy)benzene is available in chemical structure page of (2-Bromoethoxy)benzene, which specifies the molecular geometry, i.e., the spatial arrangement of atoms and the chemical bonds that hold the atoms together.

• Molecular weight of (2-Bromoethoxy)benzene

  The molecular weight of (2-Bromoethoxy)benzene is available in molecular weight page of (2-Bromoethoxy)benzene, which is calculated as the sum of the atomic masses of each constituent element multiplied by the number of atoms of that element.

• Chemical formula of (2-Bromoethoxy)benzene

  The chemical formula of (2-Bromoethoxy)benzene is given in chemical formula page of (2-Bromoethoxy)benzene, 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 (2-Bromoethoxy)benzene

  An alternative way of expressing structural information in text format is InChI. The full standard InChI of (2-Bromoethoxy)benzene is:

  InChI=1S/C8H9BrO/c9-6-7-10-8-4-2-1-3-5-8/h1-5H,6-7H2

  It can provide a standard way to encode the molecular information of (2-Bromoethoxy)benzene 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 (2-Bromoethoxy)benzene is:

  InChIKey=JJFOBACUIRKUPN-UHFFFAOYSA-N

  The InChIKey may allow easier web searches for (2-Bromoethoxy)benzene, but it needs to be linked to the full InChI to get back to the original structure of the (2-Bromoethoxy)benzene since the full standard InChI cannot be reconstructed from the InChIKey.

• Other names (synonyms) or registry numbers of (2-Bromoethoxy)benzene

  The (2-Bromoethoxy)benzene compound may be named differently depending on the various situations of industrial applications. Other names (synonyms) of (2-Bromoethoxy)benzene including the registry numbers are listed below, if available:

  • C-09574
  • EN300-17541
  • BBV-46875625
  • AR-1A2158
  • KST-1A6449
  • Q-200705
  • I01-2097
  • H2822
  • B0931
  • CAS-589-10-6

  • OTAVA-BB 7110952510
  • RTC-010404
  • 2-Phenoxyethyl bromide, 98% 25g
  • MFCD00000234
  • LABOTEST-BB LT00529917
  • ANW-33068
  • BETA-BROMOPHENYLETHYL ETHER
  • TIMTEC-BB SBB042586
  • Phenetole, beta-bromo- (8CI)
  • PHENOXY ETHYL BROMIDE

  • (2-bromoethyl)phenyl ether
  • beta-Bromophenetole, 98%
  • (2-bromo-ethoxy)-benzene
  • BETA-BROMOPHENETOL
  • (2-bromoethoxy)-benzene
  • (2-bromo-ethoxy)benzene
  • 2-bromoethylphenyl ether
  • B-BROMOPHENETOLE
  • 2-phenoxy-ethylbromide
  • b-Phenoxyethyl bromide

  • 2-bromoethoxy benzene
  • phenoxy-ethyl bromide
  • 123876-61-9
  • phenoxyethyl bromide
  • (2-bromethoxy)benzol
  • F3308-2964
  • 2-bromo-1-phenoxyethane
  • B-BROMOETHYL PHENYL ETHER
  • (2-BROMETHOXY)BENZENE
  • .beta.-Phenoxyethyl bromide

  • Benzene,(2-bromoethoxy)-
  • 2-(bromoethoxy)benzene
  • .beta.-Bromophenetole
  • Phenetole, .beta.-bromo-
  • 1-(2-bromoethoxy)benzene
  • 2-bromoethylphenylether
  • 2-bromoethoxybenzene
  • beta-Phenoxyethyl bromide
  • Benzene, (2-bromoethoxy)-
  • 1-Bromo-2-phenoxyethane

  • 2-Phenoxyethyl bromide
  • 2-Phenoxyethylbromide
  • beta-Bromophenetole
  • 2-Bromoethyl phenyl ether
  • 589-10-6

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(2-Bromoethoxy)benzene Identification Summary Frequently Asked Questions (FAQs)

What’s the (2-Bromoethoxy)benzene formula?
C8H9BrO
How many atoms and what elements are included in the (2-Bromoethoxy)benzene molecule?
19 atom(s) - 9 Hydrogen atom(s), 8 Carbon atom(s), 1 Oxygen atom(s), and 1 Bromine atom(s)
How many chemical bonds and what kind of bonds are in the (2-Bromoethoxy)benzene structure?
19 bond(s) - 10 non-H bond(s), 6 multiple bond(s), 2 rotatable bond(s), 6 aromatic bond(s), 1 six-membered ring(s), and 1 ether(s) (aromatic)
What’s the (2-Bromoethoxy)benzene’s molar mass?
201.06046 g/mol
What’s the SMILES structure of (2-Bromoethoxy)benzene?
BrCCOc1ccccc1
What’s the InChI code of (2-Bromoethoxy)benzene?
InChI=1S/C8H9BrO/c9-6-7-10-8-4-2-1-3-5-8/h1-5H,6-7H2
What’s the InChIKey format of (2-Bromoethoxy)benzene?
JJFOBACUIRKUPN-UHFFFAOYSA-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).