3-Amino-5-fluorobenzoic acid

C₇H₆FNO₂CAS 786616-54-4155.13 g/mol

Open in Covalent MOL file

Aryl halide Carboxylic acid Primary amine

Properties

Molecular formula: C₇H₆FNO₂
Molar mass: 155.13 g/mol
Exact mass: 155.0383 Da
logP: 1.11Crippen estimate
Polar surface area: 63.3 Å²
H-bond donors / acceptors: 2 / 2
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

786616-54-4

SMILES

C1=C(C=C(C=C1N)F)C(=O)O

InChIKey

RYLBYCHERDTVAY-UHFFFAOYSA-N

InChI

InChI=1S/C7H6FNO2/c8-5-1-4(7(10)11)2-6(9)3-5/h1-3H,9H2,(H,10,11)

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Names and synonyms

1 names

Benzoic acid, 3-amino-5-fluoro- (9ci)

Work with 3-Amino-5-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 Isotope patternExact mass and the mass spectrum pattern

Similar compounds

3,5-Difluorobenzoic acid455-40-371 % similar 3,5-Diaminobenzoic acid535-87-571 % similar 3,5-Dicarboxyaniline99-31-071 % similar 3,5-Diaminobenzoic acid dihydrochloride618-56-465 % similar 3-Bromo-5-fluorobenzoic acid176548-70-261 % similar 3-Amino-5-hydroxybenzoic acid76045-71-161 % similar 3-Amino-5-chlorobenzoic acid21961-30-859 % similar 3-Chloro-5-fluorobenzoic acid25026-64-659 % similar

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

Same formula

Methyl 5-fluoropyridine-2-carboxylate107504-07-4 6-Fluoronicotinic acid methyl ester1427-06-1 2-Fluoro-1-methyl-4-nitrobenzene1427-07-2 3-Amino-4-fluorobenzoic acid2365-85-7 1-Fluoro-3-methyl-2-nitrobenzene3013-27-2 5-Fluoro-2-methoxynicotinaldehyde351410-62-3 2-Amino-6-fluorobenzoic acid434-76-4 2-Fluoro-1-methyl-3-nitrobenzene437-86-5

Elsewhere

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