2,4-Difluoro-5-methylbenzoic acid

C₈H₆F₂O₂CAS 367954-99-2172.13 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

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

367954-99-2

SMILES

CC1=CC(=C(C=C1F)F)C(=O)O

InChIKey

YWQRTHMEMOUEPW-UHFFFAOYSA-N

InChI

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

Weigh it out

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Work with 2,4-Difluoro-5-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

4-Bromo-2-fluoro-5-methylbenzoic acid415965-24-171 % similar 2,4,5-Trifluorobenzoic acid446-17-369 % similar 4,5-Difluoro-2-methylbenzoic acid183237-86-766 % similar 2,5-Dimethylterephthalic acid6051-66-762 % similar 5-Chloro-2,4-difluorobenzoic acid130025-33-159 % similar 5-Bromo-2,4-difluorobenzoic acid28314-83-259 % similar 2,4,5-Trimethylbenzoic acid528-90-558 % similar 2-Fluoro-5-methylbenzoic acid321-12-057 % similar

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

Same formula

3,5-Difluoro-2-methylbenzoic acid1003710-06-2 2,5-Difluoro-4-methylbenzoic acid103877-80-1 3,5-Difluorophenylacetic acid105184-38-1 Methyl 2,4-difluorobenzoate106614-28-2 2,4-Difluoro-3-methylbenzoic acid112857-68-8 Methyl 2,6-difluorobenzoate13671-00-6 1-(3,5-Difluoro-2-hydroxyphenyl)ethan-1-one140675-42-9 2,3-Difluorobenzeneacetic acid145689-41-4

Elsewhere

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