2-Chloro-4-fluoro-5-nitrobenzoic acid

C₇H₃ClFNO₄CAS 114776-15-7219.55 g/mol

Open in Covalent MOL file

Aryl halide Carboxylic acid Nitro

Properties

Molecular formula: C₇H₃ClFNO₄
Molar mass: 219.55 g/mol
Exact mass: 218.9735 Da
logP: 2.09Crippen estimate
Polar surface area: 80.4 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 2

Identifiers

CAS number

114776-15-7

SMILES

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

InChIKey

SYZKAFCPWNFONG-UHFFFAOYSA-N

InChI

InChI=1S/C7H3ClFNO4/c8-4-2-5(9)6(10(13)14)1-3(4)7(11)12/h1-2H,(H,11,12)

Weigh it out

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

Work with 2-Chloro-4-fluoro-5-nitrobenzoic 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

2,5-Difluoro-4-nitrobenzoic acid116465-48-670 % similar 4,5-Difluoro-2-nitrobenzoic acid20372-63-863 % similar 2-Chloro-4,5-difluorobenzoic acid110877-64-063 % similar 1,2-Dichloro-4-fluoro-5-nitrobenzene2339-78-863 % similar 2,4-Dichloro-5-fluoro-3-nitrobenzoic acid106809-14-760 % similar 2,4-Dichloro-3,5-dinitrobenzoic acid52729-03-059 % similar 3-Chloro-2-nitrobenzoic acid4771-47-558 % similar 1-Chloro-2,4-difluoro-5-nitrobenzene1481-68-157 % similar

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

Elsewhere

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