2-Bromo-4-fluorobenzeneacetic acid

C₈H₆BrFO₂CAS 61150-59-2233.04 g/mol

Open in Covalent MOL file

Aryl halide Carboxylic acid

Properties

Molecular formula: C₈H₆BrFO₂
Molar mass: 233.04 g/mol
Exact mass: 231.9535 Da
logP: 2.22Crippen estimate
Polar surface area: 37.3 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 2

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

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

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

61150-59-2

SMILES

O=C(O)Cc1ccc(F)cc1Br

InChIKey

MJSGXOXCPKTZTK-UHFFFAOYSA-N

InChI

InChI=1S/C8H6BrFO2/c9-7-4-6(10)2-1-5(7)3-8(11)12/h1-2,4H,3H2,(H,11,12)

Weigh it out

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

Names and synonyms

4 names

Benzeneacetic acid, 2-bromo-4-fluoro-
(2-Bromo-4-fluorophenyl)acetic acid
2-(2-Bromo-4-fluorophenyl)acetic acid
2-Bromo-4-fluorophenylacetic acid

Work with 2-Bromo-4-fluorobenzeneacetic acid

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

2,4-Difluorophenylacetic acid81228-09-367 % similar 2-Chloro-4-fluorobenzeneacetic acid177985-32-963 % similar 2-Bromo-4-chlorophenylacetic acid52864-56-963 % similar 2,5-Difluorobenzeneacetic acid85068-27-562 % similar 2-Bromo-4,5-difluorophenylacetic acid883502-07-662 % similar 2-(Carboxymethyl)-5-fluorobenzoic acid583880-95-962 % similar 2-Bromophenylacetic acid18698-97-060 % similar 4-Fluoro-2-(trifluoromethyl)benzeneacetic acid195447-80-460 % similar

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

Same formula

2-(4-Bromo-2-fluorophenyl)acetic acid114897-92-6 2-Bromo-1-(5-fluoro-2-hydroxyphenyl)ethanone126581-65-5 4-Bromo-2-fluoro-benzoic acid methyl ester179232-29-2 3-Bromo-4-fluorophenylacetic acid194019-11-9 Methyl 3-bromo-2-fluorobenzoate206551-41-9 4-Bromo-2-fluoro-5-methylbenzoic acid415965-24-1 Methyl 2-bromo-5-fluorobenzoate6942-39-8 2-(2-Bromo-5-fluorophenyl)acetic acid739336-26-6

Elsewhere

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