3-Amino-5-fluorobenzoic acid methyl ester

C8H8FNO2CAS 884497-46-5169.16 g/mol

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OONH2F
Aryl halideEsterPrimary 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 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
1

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless.

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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

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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

Similar compounds

Methyl 3,5-difluorobenzoate216393-55-474 % similar 5-Aminoisophthalic acid dimethyl ester99-27-474 % similar Methyl 3-amino-5-hydroxybenzoate67973-80-262 % similar 1-Methyl 5-amino-1,3-benzenedicarboxylate28179-47-761 % similar Methyl m-fluorobenzoate455-68-558 % similar (3-Amino-5-(methoxycarbonyl)phenyl)boronic acid380430-56-857 % similar Methyl 3-aminobenzoate4518-10-957 % similar Trimethyl benzene-1,3,5-tricarboxylate2672-58-455 % 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 Methyl-4-amino-3-fluorobenzoate185629-32-7 (S)-4-Fluorophenylglycine19883-57-9 (2-Fluorophenyl)glycine2343-27-3 Methyl 2-amino-4-fluorobenzoate2475-81-2 Methyl 2-amino-5-fluorobenzoate319-24-4

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