2,4-Difluoro-5-nitrobenzoic acid

C₇H₃F₂NO₄CAS 153775-33-8203.10 g/mol

Open in Covalent MOL file

Aryl halide Carboxylic acid Nitro

Properties

Molecular formula: C₇H₃F₂NO₄
Molar mass: 203.10 g/mol
Exact mass: 203.0030 Da
logP: 1.57Crippen estimate
Polar surface area: 80.4 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 2

Identifiers

CAS number

153775-33-8

SMILES

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

InChIKey

MDFSGDMPHMKKGB-UHFFFAOYSA-N

InChI

InChI=1S/C7H3F2NO4/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 2,4-Difluoro-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-Chloro-4-fluoro-5-nitrobenzoic acid114776-15-774 % similar 3-Fluoro-4-nitrobenzoic acid403-21-463 % similar 2-Fluoro-4-nitrobenzoic acid403-24-763 % similar 4-Fluoro-3-nitrobenzoic acid453-71-463 % similar 4-Bromo-5-fluoro-2-nitrobenzoic acid1020717-99-062 % similar 1,5-Difluoro-2,4-dinitrobenzene327-92-461 % similar 4-Fluoro-2-nitrobenzoic acid394-01-460 % similar 1,2,4-Trifluoro-5-nitrobenzene2105-61-559 % similar

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

Same formula

2,5-Difluoro-4-nitrobenzoic acid116465-48-6 4,5-Difluoro-2-nitrobenzoic acid20372-63-8

Elsewhere

PubChem CAS Common Chemistry NIST WebBook