2,3,4-Trifluoro-6-nitroaniline

C₆H₃F₃N₂O₂CAS 148416-38-0192.10 g/mol

Open in Covalent MOL file

Aryl halide Nitro Primary amine

Properties

Molecular formula: C₆H₃F₃N₂O₂
Molar mass: 192.10 g/mol
Exact mass: 192.0147 Da
logP: 1.59Crippen estimate
Polar surface area: 69.2 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 1

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

148416-38-0

SMILES

C1=C(C(=C(C(=C1F)F)F)N)[N+](=O)[O-]

InChIKey

ILENVKAVEFKZSD-UHFFFAOYSA-N

InChI

InChI=1S/C6H3F3N2O2/c7-2-1-3(11(12)13)6(10)5(9)4(2)8/h1H,10H2

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Work with 2,3,4-Trifluoro-6-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

1,2,3,4-Tetrafluoro-5-nitrobenzene5580-79-069 % similar 2,3-Difluoro-6-nitroaniline211693-73-166 % similar 2,4-Difluoro-6-nitrobenzenamine364-30-763 % similar 4-Amino-2,3-difluoro-5-nitro-benzoic acid284030-57-559 % similar 4,5-Difluoro-2-nitroaniline78056-39-057 % similar 1,2,4-Trifluoro-5-nitrobenzene2105-61-555 % similar Methyl 4-amino-2,3-difluoro-5-nitrobenzoate284030-58-655 % similar 1,2,3,5-Tetrafluoro-4-nitrobenzene314-41-054 % similar

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

Same formula

2-(Trifluoromethyl)pyrimidine-5-carboxylic acid306960-77-0

Elsewhere

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