2,5-Difluoro-4-methylbenzoic acid

C₈H₆F₂O₂CAS 103877-80-1172.13 g/mol

Open in Covalent MOL file

Aryl halide Carboxylic acid

Properties

Molecular formula: C₈H₆F₂O₂
Molar mass: 172.13 g/mol
Exact mass: 172.0336 Da
logP: 1.97Crippen estimate
Polar surface area: 37.3 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 1

Identifiers

CAS number

103877-80-1

SMILES

Cc1cc(F)c(C(=O)O)cc1F

InChIKey

PWWMQUUDAAWEBK-UHFFFAOYSA-N

InChI

InChI=1S/C8H6F2O2/c1-4-2-7(10)5(8(11)12)3-6(4)9/h2-3H,1H3,(H,11,12)

Weigh it out

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

Names and synonyms

1 names

Benzoic acid, 2,5-difluoro-4-methyl-

Work with 2,5-Difluoro-4-methylbenzoic 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-Trifluorobenzoic acid446-17-369 % similar 4-Bromo-2,5-difluorobenzoic acid28314-82-159 % similar 3-Fluoro-4-methylbenzoic acid350-28-757 % similar 4-Fluoro-3-methylbenzoic acid403-15-657 % similar 2,4,5-Trifluoro-3-methylbenzoic acid112822-85-256 % similar 5-Bromo-2,4-difluorobenzoic acid28314-83-254 % similar 2,4,5-Trimethylbenzoic acid528-90-553 % similar 2,3,4,5-Tetrafluorobenzoic acid1201-31-653 % similar

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

Same formula

3,5-Difluoro-2-methylbenzoic acid1003710-06-2 3,5-Difluorophenylacetic acid105184-38-1 Methyl 2,4-difluorobenzoate106614-28-2 2,4-Difluoro-3-methylbenzoic acid112857-68-8 2,3-Difluorobenzeneacetic acid145689-41-4 4,5-Difluoro-2-methylbenzoic acid183237-86-7 Methyl 3,4-difluorobenzoate369-25-5 (3,4-Difluorophenyl)acetic acid658-93-5

Elsewhere

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