Phenyl bromoacetate

C8H7BrO2CAS 620-72-4215.05 g/mol

Open in Covalent MOL file
OOBr
Alkyl halideEster

Properties

Molecular formula
C8H7BrO2
Molar mass
215.05 g/mol
Exact mass
213.9629 Da
logP
1.99Crippen estimate
Polar surface area
26.3 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
2

Hazards

Warning
Irritant (GHS07)

Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, P362+P364

Identifiers

CAS number
620-72-4
SMILES
C1=CC=C(C=C1)OC(=O)CBr
InChIKey
UEWYUCGVQMZMGY-UHFFFAOYSA-N
InChI
InChI=1S/C8H7BrO2/c9-6-8(10)11-7-4-2-1-3-5-7/h1-5H,6H2

Weigh it out

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Work with Phenyl bromoacetate

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Diphenyl succinate621-14-767 % similar Benzyl bromoacetate5437-45-656 % similar Diphenyl carbonate102-09-050 % similar Phenyl stearate637-55-850 % similar Phenoxyacetic anhydride14316-61-147 % similar p-Cresyl phenylacetate101-94-046 % similar Phenyl acetate122-79-245 % similar 1,4-Diphenyl 1,4-benzenedicarboxylate1539-04-445 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

5′-Bromo-2′-hydroxyacetophenone1450-75-5 1-(3-Bromo-2-hydroxyphenyl)ethanone1836-05-1 2-Bromophenylacetic acid18698-97-0 3-Bromophenylacetic acid1878-67-7 4-Bromophenylacetic acid1878-68-8 2-Bromo-2'-hydroxyacetophenone2491-36-3 2-Bromo-1-(3-hydroxyphenyl)ethanone2491-37-4 2-Bromo-1-(4-hydroxyphenyl)ethanone2491-38-5

Elsewhere

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