3-Amino-5-fluorobenzoic acid methyl ester

C₈H₈FNO₂CAS 884497-46-5169.16 g/mol

Open in Covalent MOL file

Aryl halide Ester Primary amine

Properties

Molecular formula: C₈H₈FNO₂
Molar mass: 169.16 g/mol
Exact mass: 169.0539 Da
logP: 1.19Crippen estimate
Polar surface area: 52.3 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 1

Identifiers

CAS number

884497-46-5

SMILES

COC(=O)c1cc(N)cc(F)c1

InChIKey

YKEJVXMOMKWEPV-UHFFFAOYSA-N

InChI

InChI=1S/C8H8FNO2/c1-12-8(11)5-2-6(9)4-7(10)3-5/h2-4H,10H2,1H3

Weigh it out

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

Names and synonyms

2 names

Benzoic acid, 3-amino-5-fluoro-, methyl ester
Methyl 3-amino-5-fluorobenzoate

Work with 3-Amino-5-fluorobenzoic acid methyl ester

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

Same formula

Methyl 3-amino-2-fluorobenzoate1195768-18-3 (2-Fluorophenyl)glycine2343-27-3 Methyl 2-amino-5-fluorobenzoate319-24-4 3-Amino-4-fluorobenzoic acid methyl ester369-26-6 4-Fluorophenylglycine7292-73-1 α-Amino-3-fluorobenzeneacetic acid7292-74-2 D-(-)-4-Fluorophenylglycine93939-74-3

Elsewhere

PubChem CAS Common Chemistry NIST WebBook