2-Amino-6-fluorobenzoic acid

C₇H₆FNO₂CAS 434-76-4155.13 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

434-76-4

SMILES

C1=CC(=C(C(=C1)F)C(=O)O)N

InChIKey

RWSFZKWMVWPDGZ-UHFFFAOYSA-N

InChI

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

Weigh it out

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Work with 2-Amino-6-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

2,6-Difluorobenzoic acid385-00-272 % similar 3-Amino-2,6-difluorobenzoic acid83141-11-165 % similar 3-Fluorophthalic acid1583-67-164 % similar 3-Aminophthalic acid5434-20-864 % similar 2-Amino-6-fluorobenzamide115643-59-962 % similar 2-Amino-6-bromobenzoic acid20776-48-162 % similar 2-Amino-6-chlorobenzoic acid2148-56-362 % similar 2-Bromo-6-fluorobenzoic acid2252-37-162 % 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-Fluoro-1-methyl-3-nitrobenzene437-86-5 2-Amino-5-fluorobenzoic acid446-08-2

Elsewhere

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