chempirical

2,5-Difluoro-4-nitrobenzoic acid

C7H3F2NO4CAS 116465-48-6203.10 g/mol

Open in Covalent MOL file
FN+OO−FOOH
Aryl halideCarboxylic acidNitro

Properties

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

Identifiers

CAS number
116465-48-6
SMILES
C1=C(C(=CC(=C1F)[N+](=O)[O-])F)C(=O)O
InChIKey
GPTNSBLYGCZJQV-UHFFFAOYSA-N
InChI
InChI=1S/C7H3F2NO4/c8-4-2-6(10(13)14)5(9)1-3(4)7(11)12/h1-2H,(H,11,12)

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

Work with 2,5-Difluoro-4-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 acid114776-15-770 % similar 4-Bromo-5-fluoro-2-nitrobenzoic acid1020717-99-066 % 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-Fluoro-2-nitrobenzoic acid394-01-460 % similar 1,2,4-Trifluoro-5-nitrobenzene2105-61-559 % similar 2,4,5-Trifluorobenzoic acid446-17-359 % similar

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

Same formula

2,4-Difluoro-5-nitrobenzoic acid153775-33-8 4,5-Difluoro-2-nitrobenzoic acid20372-63-8

Elsewhere

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