Methyl 2-(4-(bromomethyl)phenyl)acetate

C₁₀H₁₁BrO₂CAS 7398-42-7243.10 g/mol

Open in Covalent MOL file

Alkyl halide Ester

Properties

Molecular formula: C₁₀H₁₁BrO₂
Molar mass: 243.10 g/mol
Exact mass: 241.9942 Da
logP: 2.30Crippen estimate
Polar surface area: 26.3 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 3

Hazards

Danger

H302 Harmful if swallowed66.7% of notifiers
H314 Causes severe skin burns and eye damage100% of notifiers
H335 May cause respiratory irritation66.7% of notifiers

Aggregated from 3 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P261, P264, P270, P271, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P319, P321, P330, P363, P403+P233, P405, P501

Identifiers

CAS number

7398-42-7

SMILES

COC(=O)CC1=CC=C(C=C1)CBr

InChIKey

APXOMRFLJBRHNX-UHFFFAOYSA-N

InChI

InChI=1S/C10H11BrO2/c1-13-10(12)6-8-2-4-9(7-11)5-3-8/h2-5H,6-7H2,1H3

Weigh it out

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

Names and synonyms

1 names

4-(Bromomethyl)phenylaceticacidphenacylester

Work with Methyl 2-(4-(bromomethyl)phenyl)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

Methyl (4-bromophenyl)acetate41841-16-169 % similar p-Tolylacetic acid methyl ester23786-13-266 % similar Methyl phenylacetate101-41-765 % similar Methyl (4-hydroxyphenyl)acetate14199-15-664 % similar Methyl 4-methoxybenzeneacetate23786-14-364 % similar Methyl 4-chlorobenzeneacetate52449-43-164 % similar 4-Methoxycarbonylmethyl-benzoic acid methyl ester52787-14-162 % similar Methyl 4-pyridineacetate29800-89-361 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-(4-Bromomethyl)phenylpropionic acid111128-12-2 Methyl 4-(2-bromoethyl)benzoate136333-97-6 Ethyl 2-(4-bromophenyl)acetate14062-25-0 Ethyl 4-bromo-3-methylbenzoate160313-69-9 Ethyl 4-(bromomethyl)benzoate26496-94-6 Ethyl α-bromobenzeneacetate2882-19-1 2-(4-Bromophenyl)-2-methylpropanoic acid32454-35-6 4-(4-Bromophenyl)butanoic acid35656-89-4

Elsewhere

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