Methyl 2-bromo-2-(4-chlorophenyl)acetate

C₉H₈BrClO₂CAS 24091-92-7263.51 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

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

24091-92-7

SMILES

COC(=O)C(C1=CC=C(C=C1)Cl)Br

InChIKey

LWQLLIVTGSMSCT-UHFFFAOYSA-N

InChI

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

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Names and synonyms

1 names

2'-Bromo-4-chlorophenylacetic acid methyl ester

Work with Methyl 2-bromo-2-(4-chlorophenyl)acetate

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

Alpha-bromo-4-chlorophenylacetic acid3381-73-554 % similar DL-(p-Chlorophenyl)alanine methyl ester hydrochloride14173-40-147 % similar 4-Chloro-D-phenylalanine methyl ester hydrochloride33965-47-847 % similar Methyl 4-chlorobenzoate1126-46-146 % similar Ethyl α-bromobenzeneacetate2882-19-143 % similar Methyl 4-chlorobenzeneacetate52449-43-143 % similar Methyl alpha-phenylbenzeneacetate3469-00-942 % similar Methyl 2-bromo-3-methylbutanoate26330-51-841 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

Ethyl 5-bromo-2-chlorobenzoate76008-73-6 Methyl α-bromo-2-chlorobenzeneacetate85259-19-4

Elsewhere

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