4-Amino-2-fluoro-5-methoxybenzoic acid

C₈H₈FNO₃CAS 1001346-91-3185.15 g/mol

Open in Covalent MOL file

Aryl halide Carboxylic acid Ether Primary amine

Properties

Molecular formula: C₈H₈FNO₃
Molar mass: 185.15 g/mol
Exact mass: 185.0488 Da
logP: 1.11Crippen estimate
Polar surface area: 72.5 Å²
H-bond donors / acceptors: 2 / 3
Rotatable bonds: 2

Identifiers

CAS number

1001346-91-3

SMILES

COC1=C(C=C(C(=C1)C(=O)O)F)N

InChIKey

AOFWIQANMFITAG-UHFFFAOYSA-N

InChI

InChI=1S/C8H8FNO3/c1-13-7-2-4(8(11)12)5(9)3-6(7)10/h2-3H,10H2,1H3,(H,11,12)

Weigh it out

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

Work with 4-Amino-2-fluoro-5-methoxybenzoic 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-Amino-4,5-dimethoxybenzoic acid5653-40-769 % similar 2,4,5-Trimethoxybenzoic acid490-64-257 % similar 2-Amino-3,4,5-trimethoxybenzoic acid61948-85-455 % similar 4-Amino-5-chloro-2-methoxybenzoic acid7206-70-455 % similar 3-Amino-4-methoxybenzoic acid2840-26-854 % similar 2,4,5-Trifluorobenzoic acid446-17-353 % similar 3-Fluoro-2-methoxybenzoic acid106428-05-152 % similar 4-Amino-2-methoxybenzoic acid2486-80-852 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook