2,5-Dibromophenylacetic acid

C₈H₆Br₂O₂CAS 203314-28-7293.94 g/mol

Open in Covalent MOL file

Aryl halide Carboxylic acid

Properties

Molecular formula: C₈H₆Br₂O₂
Molar mass: 293.94 g/mol
Exact mass: 291.8735 Da
logP: 2.84Crippen estimate
Polar surface area: 37.3 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 2

Hazards

Warning

H302+H332 Harmful if swallowed or if inhaled33.3% of notifiers
H302 Harmful if swallowed33.3% of notifiers
H315 Causes skin irritation66.7% of notifiers
H319 Causes serious eye irritation66.7% of notifiers
H332 Harmful if inhaled33.3% 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

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

203314-28-7

SMILES

O=C(O)Cc1cc(Br)ccc1Br

InChIKey

NKZKFWYEXDBOTP-UHFFFAOYSA-N

InChI

InChI=1S/C8H6Br2O2/c9-6-1-2-7(10)5(3-6)4-8(11)12/h1-3H,4H2,(H,11,12)

Weigh it out

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

Names and synonyms

4 names

2,5-Dibromobenzeneacetic acid
Benzeneacetic acid, 2,5-dibromo-
(2,5-Dibromophenyl)acetic acid
2-(2,5-Dibromophenyl)acetic acid

Work with 2,5-Dibromophenylacetic 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-(2-Bromo-5-fluorophenyl)acetic acid739336-26-667 % similar 2-(2-Bromo-5-chlorophenyl)acetic acid81682-38-467 % similar 2-Bromophenylacetic acid18698-97-064 % similar 2-(4-Bromo-2-fluorophenyl)acetic acid114897-92-662 % similar 5-Bromo-2-methoxyphenylacetic acid7017-48-362 % similar 2-Bromo-4,5-difluorophenylacetic acid883502-07-657 % similar (5-Bromo-1H-indol-3-yl)acetic acid40432-84-656 % similar 4-Bromophenylacetic acid1878-68-856 % similar

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

Same formula

3',5'-Dibromo-2'-hydroxyacetophenone22362-66-9 3′,5′-Dibromo-4′-hydroxyacetophenone2887-72-1 Methyl 3,5-dibromobenzoate51329-15-8 Methyl 2,5-dibromobenzoate57381-43-8 3,5-Dibromo-4-methylbenzoic acid67973-32-4

Elsewhere

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