chempirical

2-Fluoro-4-methylbenzoic acid

C8H7FO2CAS 7697-23-6154.14 g/mol

Open in Covalent MOL file
OOHF
Aryl halideCarboxylic acid

Properties

Molecular formula
C8H7FO2
Molar mass
154.14 g/mol
Exact mass
154.0430 Da
logP
1.83Crippen estimate
Polar surface area
37.3 Ų
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
7697-23-6
SMILES
CC1=CC(=C(C=C1)C(=O)O)F
InChIKey
ALFWHEYHCZRVLO-UHFFFAOYSA-N
InChI
InChI=1S/C8H7FO2/c1-5-2-3-6(8(10)11)7(9)4-5/h2-4H,1H3,(H,10,11)

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Work with 2-Fluoro-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-Fluoro-5-methylbenzoic acid321-12-075 % similar 4-Methylphthalic acid4316-23-868 % similar 2,4-Difluorobenzoic acid1583-58-064 % similar 2,4-Dimethylbenzoic acid611-01-864 % similar 2-Amino-4-methylbenzoic acid2305-36-462 % similar 4-Methylsalicylic acid50-85-162 % similar 2-Fluoro-4-hydroxybenzoic acid65145-13-362 % similar 4-Bromo-2-fluorobenzoic acid112704-79-760 % similar

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

Same formula

2-Fluoro-3-methoxybenzaldehyde103438-88-6 2-Fluoro-5-methoxybenzaldehyde105728-90-3 4-Fluoro-3-methoxybenzaldehyde128495-46-5 2-Fluoro-6-methoxybenzaldehyde146137-74-8 1-(4-Fluoro-2-hydroxyphenyl)ethanone1481-27-2 α-Fluorobenzeneacetic acid1578-63-8 5-Fluoro-2-methoxybenzaldehyde19415-51-1 2-Fluoro-3-methylbenzoic acid315-31-1

Elsewhere

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