4-Bromo-2,6-dichlorobenzoic acid

C₇H₃BrCl₂O₂CAS 232275-51-3269.90 g/mol

Open in Covalent MOL file

Aryl halide Carboxylic acid

Properties

Molecular formula: C₇H₃BrCl₂O₂
Molar mass: 269.90 g/mol
Exact mass: 267.8693 Da
logP: 3.45Crippen estimate
Polar surface area: 37.3 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 1

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation50% 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

232275-51-3

SMILES

O=C(O)c1c(Cl)cc(Br)cc1Cl

InChIKey

SSWALODYSQLVPK-UHFFFAOYSA-N

InChI

InChI=1S/C7H3BrCl2O2/c8-3-1-4(9)6(7(11)12)5(10)2-3/h1-2H,(H,11,12)

Weigh it out

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Names and synonyms

1 names

Benzoic acid, 4-bromo-2,6-dichloro-

Work with 4-Bromo-2,6-dichlorobenzoic 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

2,4,6-Trichlorobenzoic acid50-43-166 % similar 2,6-Dichlorobenzoic acid50-30-664 % similar 4-Bromo-2-chlorobenzoic acid59748-90-261 % similar 2,4,6-Tribromobenzoic acid633-12-560 % similar 2-Bromo-6-chlorobenzoic acid93224-85-259 % similar 4-Bromo-2,6-difluorobenzoic acid183065-68-156 % similar 5-Bromo-2-chlorobenzoic acid21739-92-456 % similar 5-Bromo-1,3-benzenedicarboxylic acid23351-91-955 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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