Methyl-4-amino-3-fluorobenzoate

C₈H₈FNO₂CAS 185629-32-7169.16 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

185629-32-7

SMILES

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

InChIKey

DOMJYWCXCVFKCA-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Names and synonyms

1 names

Methyl 4-amino-3-fluorobenzoate

Work with Methyl-4-amino-3-fluorobenzoate

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

Methyl 4-amino-3-methylbenzoate18595-14-765 % similar Methyl 4-amino-3-methoxybenzoate41608-64-465 % similar Dimethyl 3-aminoterephthalate5372-81-664 % similar Orthocaine536-25-459 % similar Methyl 3-bromo-4-fluorobenzoate82702-31-659 % similar Methyl 3-fluoro-4-nitrobenzoate185629-31-656 % similar Methyl 4-amino-3-nitrobenzoate3987-92-656 % similar 4-Amino-3-fluorobenzoic acid455-87-855 % similar

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

Same formula

Methyl 3-amino-2-fluorobenzoate1195768-18-3 Methyl5-fluoro-6-methylpicolinate1245647-61-3 2,3-Dimethyl-4-fluoronitrobenzene1736-87-4 (S)-4-Fluorophenylglycine19883-57-9 (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

Elsewhere

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