3-Fluorobenzoic acid

C₇H₅FO₂CAS 455-38-9140.11 g/mol

Open in Covalent MOL file

Aryl halide Carboxylic acid

Properties

Molecular formula: C₇H₅FO₂
Molar mass: 140.11 g/mol
Exact mass: 140.0274 Da
Melting point: 124 °C
Boiling point: 116 °C
logP: 1.52Crippen estimate
Polar surface area: 37.3 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 1

Identifiers

CAS number

455-38-9

SMILES

O=C(O)c1cccc(F)c1

InChIKey

MXNBDFWNYRNIBH-UHFFFAOYSA-N

InChI

InChI=1S/C7H5FO2/c8-6-3-1-2-5(4-6)7(9)10/h1-4H,(H,9,10)

Weigh it out

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

Names and synonyms

5 names

Benzoic acid, 3-fluoro-
Benzoic acid, m-fluoro-
m-Fluorobenzoic acid
NSC 10320
NSC 176125

Work with 3-Fluorobenzoic 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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

3′-Fluoro[1,1′-biphenyl]-3-carboxylic acid168619-04-379 % similar Isophthalic acid121-91-572 % similar 4′-Fluoro[1,1′-biphenyl]-3-carboxylic acid10540-39-369 % similar 3,5-Difluorobenzoic acid455-40-367 % similar 3′-Fluoro[1,1′-biphenyl]-4-carboxylic acid1841-58-366 % similar 3,3′-Difluorobenzophenone345-70-061 % similar 3-Chlorobenzoic acid535-80-860 % similar 3-Bromobenzoic acid585-76-260 % similar

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

Same formula

2-Fluoro-4-hydroxybenzaldehyde348-27-6 3-Fluoro-4-hydroxybenzaldehyde405-05-0 2-Fluorobenzoic acid445-29-4 4-Fluorobenzoic acid456-22-4

Elsewhere

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