Ethyl 3-amino-4-fluorobenzoate

C₉H₁₀FNO₂CAS 455-75-4183.18 g/mol

Open in Covalent MOL file

Aryl halide Ester Primary amine

Properties

Molecular formula: C₉H₁₀FNO₂
Molar mass: 183.18 g/mol
Exact mass: 183.0696 Da
logP: 1.58Crippen estimate
Polar surface area: 52.3 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 2

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

455-75-4

SMILES

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

InChIKey

XRJOTWKQZHOXTM-UHFFFAOYSA-N

InChI

InChI=1S/C9H10FNO2/c1-2-13-9(12)6-3-4-7(10)8(11)5-6/h3-5H,2,11H2,1H3

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Work with Ethyl 3-amino-4-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

Ethyl 3,4-difluorobenzoate144267-96-973 % similar Ethyl 3,4-diaminobenzoate37466-90-373 % similar 3-Amino-4-fluorobenzoic acid methyl ester369-26-667 % similar Ethyl 4-fluoro-3-nitrobenzoate367-80-659 % similar Diethyl terephthalate636-09-957 % similar Ethyl 4-fluorobenzoate451-46-756 % similar Benzocaine94-09-756 % similar Ethyl 3-fluorobenzoate451-02-556 % similar

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

Same formula

3-Fluoro-D-phenylalanine110117-84-5 4-Fluoro-L-phenylalanine1132-68-9 4-Fluoro-N-methoxy-N-methylbenzamide116332-54-8 β-Amino-3-fluorobenzenepropanoic acid117391-51-2 (R)-3-Amino-3-(4-fluorophenyl)-propionic acid151911-23-8 (3S)-3-Amino-3-(4-fluorophenyl)propanoic acid151911-33-0 4-Fluoro-D-phenylalanine18125-46-7 3-Fluoro-L-phenylalanine19883-77-3

Elsewhere

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