(4-Fluoro-3-nitrophenyl)acetic acid

C₈H₆FNO₄CAS 192508-36-4199.14 g/mol

Open in Covalent MOL file

Aryl halide Carboxylic acid Nitro

Properties

Molecular formula: C₈H₆FNO₄
Molar mass: 199.14 g/mol
Exact mass: 199.0281 Da
logP: 1.36Crippen estimate
Polar surface area: 80.4 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 3

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

192508-36-4

SMILES

C1=CC(=C(C=C1CC(=O)O)[N+](=O)[O-])F

InChIKey

FLCOFHGXMMGYDB-UHFFFAOYSA-N

InChI

InChI=1S/C8H6FNO4/c9-6-2-1-5(4-8(11)12)3-7(6)10(13)14/h1-3H,4H2,(H,11,12)

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Names and synonyms

1 names

4-Fluoro-3-nitrophenylacetic acid

Work with (4-Fluoro-3-nitrophenyl)acetic 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

4-Hydroxy-3-nitrophenylacetic acid10463-20-471 % similar 4-Chloro-3-nitrophenylacetic acid37777-68-769 % similar 3,5-Dinitro-4-hydroxyphenylacetic acid10463-37-363 % similar 4-Fluoro-3-nitrobenzyl bromide15017-52-461 % similar (3,4-Difluorophenyl)acetic acid658-93-561 % similar (4-Nitrophenyl)acetic acid104-03-060 % similar 3-Nitrophenylacetic acid1877-73-258 % similar 4-Fluoro-3-nitrobenzoic acid453-71-458 % similar

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

Same formula

Methyl 4-fluoro-2-nitrobenzoate151504-81-3 Methyl 3-fluoro-4-nitrobenzoate185629-31-6 2-(5-Fluoro-2-nitrophenyl)acetic acid29640-98-0 Methyl 2-fluoro-5-nitrobenzoate2965-22-2 Methyl 4-fluoro-3-nitrobenzoate329-59-9 Methyl 5-fluoro-2-nitrobenzoate393-85-1 5-Fluoro-2-methyl-3-nitrobenzoic acid850462-64-5 2-Fluoro-3-nitrobenzoic acid methyl ester946126-94-9

Elsewhere

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