chempirical

4-Amino-2,3-difluoro-5-nitro-benzoic acid

C7H4F2N2O4CAS 284030-57-5218.12 g/mol

Open in Covalent MOL file
N+OO−H2NFFOOH
Aryl halideCarboxylic acidNitroPrimary amine

Properties

Molecular formula
C7H4F2N2O4
Molar mass
218.12 g/mol
Exact mass
218.0139 Da
logP
1.15Crippen estimate
Polar surface area
106.5 Ų
H-bond donors / acceptors
2 / 4
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
284030-57-5
SMILES
C1=C(C(=C(C(=C1[N+](=O)[O-])N)F)F)C(=O)O
InChIKey
WXXHOWQPFHXRDY-UHFFFAOYSA-N
InChI
InChI=1S/C7H4F2N2O4/c8-4-2(7(12)13)1-3(11(14)15)6(10)5(4)9/h1H,10H2,(H,12,13)

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Names and synonyms

1 names
  • 4-Amino-2,3-difluoro-5-nitrobenzoic acid

Work with 4-Amino-2,3-difluoro-5-nitro-benzoic 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

2,3,4-Trifluoro-5-nitro-benzoic acid197520-71-174 % similar Methyl 4-amino-2,3-difluoro-5-nitrobenzoate284030-58-663 % similar 2,3,4-Trifluoro-6-nitroaniline148416-38-059 % similar 2,4-Difluoro-5-nitrobenzoic acid153775-33-858 % similar 2-Fluoro-3-nitrobenzoic acid317-46-457 % similar 2-Amino-3-nitrobenzoic acid606-18-857 % similar 4,5-Difluoro-2-nitrobenzoic acid20372-63-856 % similar 2,5-Difluoro-4-nitrobenzoic acid116465-48-655 % similar

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

Elsewhere

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