Methyl α-bromo-2-chlorobenzeneacetate

C₉H₈BrClO₂CAS 85259-19-4263.51 g/mol

Open in Covalent MOL file

Alkyl halide Aryl halide Ester

Properties

Molecular formula: C₉H₈BrClO₂
Molar mass: 263.51 g/mol
Exact mass: 261.9396 Da
logP: 2.95Crippen estimate
Polar surface area: 26.3 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 2

Hazards

Danger

H290 May be corrosive to metals50% of notifiers
H314 Causes severe skin burns and eye damage100% of notifiers
H318 Causes serious eye damage50% of notifiers

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

Precautionary statements

P234, P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P363, P390, P405, P406, P501

Identifiers

CAS number

85259-19-4

SMILES

COC(=O)C(Br)c1ccccc1Cl

InChIKey

HMBUCZUZRQQJQD-UHFFFAOYSA-N

InChI

InChI=1S/C9H8BrClO2/c1-13-9(12)8(10)6-4-2-3-5-7(6)11/h2-5,8H,1H3

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

6 names

Benzeneacetic acid, α-bromo-2-chloro-, methyl ester
Methyl α-bromo-2-chlorophenylacetate
Methyl bromo(2-chlorophenyl)acetate
Methyl α-bromo-α-(2-chlorophenyl)acetate
Methyl 2-bromo-2-(2-chlorophenyl)acetate
Methyl alpha-bromo-2-chlorophenylacetate

Work with Methyl α-bromo-2-chlorobenzeneacetate

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

Methyl (alphaS)-alpha-amino-2-chlorobenzeneacetate141109-14-064 % similar Methyl (2R)-2-amino-2-(2-chlorophenyl)acetate141109-16-264 % similar Alpha-Bromo-2-chlorobenzeneacetic acid141109-25-356 % similar Alpha-Bromo-2-chlorobenzeneacetic acid29270-30-256 % similar Benzeneacetic acid, α-amino-2-chloro-, methyl ester, (αS)-, (2R,3R)-2,3-dihydroxybutanedioate (1:1)141109-15-151 % similar Methyl (2S)-2-(2-chlorophenyl)-2-((2-(thiophen-2-YL)ethyl)amino)acetate hydrochloride141109-19-548 % similar Methyl 2-chlorobenzoate610-96-845 % similar Clopidogrel113665-84-245 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Methyl 2-bromo-2-(4-chlorophenyl)acetate24091-92-7 Ethyl 5-bromo-2-chlorobenzoate76008-73-6

Elsewhere

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