2-Bromo-4,5-difluorophenylacetic acid

C₈H₅BrF₂O₂CAS 883502-07-6251.03 g/mol

Open in Covalent MOL file

Aryl halide Carboxylic acid

Properties

Molecular formula: C₈H₅BrF₂O₂
Molar mass: 251.03 g/mol
Exact mass: 249.9441 Da
logP: 2.35Crippen estimate
Polar surface area: 37.3 Å²
H-bond donors / acceptors: 1 / 1
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

883502-07-6

SMILES

C1=C(C(=CC(=C1F)F)Br)CC(=O)O

InChIKey

FQSLXVRCDYUESO-UHFFFAOYSA-N

InChI

InChI=1S/C8H5BrF2O2/c9-5-3-7(11)6(10)1-4(5)2-8(12)13/h1,3H,2H2,(H,12,13)

Weigh it out

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

Work with 2-Bromo-4,5-difluorophenylacetic 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

(2,4,5-Trifluorophenyl)acetic acid209995-38-069 % similar 2-Bromo-4-fluorobenzeneacetic acid61150-59-262 % similar 2-(2-Bromo-5-fluorophenyl)acetic acid739336-26-662 % similar 3-Bromo-4-fluorophenylacetic acid194019-11-959 % similar 2-(4-Bromo-2-fluorophenyl)acetic acid114897-92-658 % similar 2,5-Dibromobenzeneacetic acid203314-28-757 % similar 2-Bromo-4,5-dimethoxyphenylacetic acid4697-62-556 % similar 2-Bromophenylacetic acid18698-97-054 % similar

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

Same formula

2-(4-Bromo-2,6-difluorophenyl)acetic acid537033-54-8 Methyl 4-bromo-2,6-difluorobenzoate773134-11-5 Methyl 2-bromo-4,5-difluorobenzoate878207-28-4

Elsewhere

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