4,5-Difluoro-2-nitroaniline

C₆H₄F₂N₂O₂CAS 78056-39-0174.11 g/mol

Open in Covalent MOL file

Aryl halide Nitro Primary amine

Properties

Molecular formula: C₆H₄F₂N₂O₂
Molar mass: 174.11 g/mol
Exact mass: 174.0241 Da
Melting point: 109–109.5 °C
logP: 1.46Crippen estimate
Polar surface area: 69.2 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 1

Identifiers

CAS number

78056-39-0

SMILES

Nc1cc(F)c(F)cc1[N+](=O)[O-]

InChIKey

WDMCABATCGQAKK-UHFFFAOYSA-N

InChI

InChI=1S/C6H4F2N2O2/c7-3-1-5(9)6(10(11)12)2-4(3)8/h1-2H,9H2

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Names and synonyms

6 names

Benzenamine, 4,5-difluoro-2-nitro-
4,5-Difluoro-2-nitrobenzenamine
2-Nitro-4,5-difluoroaniline
4,5-Difluoro-2-nitrophenylamine
3,4-Difluoro-6-nitroaniline
NSC 402976

Work with 4,5-Difluoro-2-nitroaniline

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

2,4-Dinitro-5-fluoroaniline367-81-783 % similar 5-Chloro-4-fluoro-2-nitrobenzenamine104222-34-673 % similar 1,2,4-Trifluoro-5-nitrobenzene2105-61-566 % similar 2-Bromo-5-fluoro-4-nitrobenzenamine952664-69-663 % similar 4-Fluoro-2-nitroaniline364-78-361 % similar 5-Fluoro-2-nitrobenzenamine2369-11-159 % similar 1,2-Difluoro-4-methyl-5-nitrobenzene127371-50-058 % similar 4,5-Dichloro-2-nitrobenzenamine6641-64-158 % similar

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

Same formula

2,4-Difluoro-6-nitrobenzenamine364-30-7

Elsewhere

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