5-Chloro-2-nitro-4-(trifluoromethoxy)benzenamine

C₇H₄ClF₃N₂O₃CAS 914637-23-3256.57 g/mol

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Alkyl halide Aryl halide Ether Nitro Primary amine

Properties

Molecular formula: C₇H₄ClF₃N₂O₃
Molar mass: 256.57 g/mol
Exact mass: 255.9863 Da
logP: 2.73Crippen estimate
Polar surface area: 78.4 Å²
H-bond donors / acceptors: 1 / 4
Rotatable bonds: 2

Identifiers

CAS number

914637-23-3

SMILES

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

InChIKey

NFVAJIPVDHPZKP-UHFFFAOYSA-N

InChI

InChI=1S/C7H4ClF3N2O3/c8-3-1-4(12)5(13(14)15)2-6(3)16-7(9,10)11/h1-2H,12H2

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Names and synonyms

2 names

Benzenamine, 5-chloro-2-nitro-4-(trifluoromethoxy)-
5-Chloro-2-nitro-4-(trifluoromethoxy)aniline

Work with 5-Chloro-2-nitro-4-(trifluoromethoxy)benzenamine

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

4,5-Dichloro-2-nitrobenzenamine6641-64-162 % similar 2-Chloro-5-nitro-1,4-benzenediamine26196-45-260 % similar 5-Chloro-4-fluoro-2-nitrobenzenamine104222-34-658 % similar 5-Chloro-4-methyl-2-nitrobenzenamine7149-80-655 % similar 2,5-Dichloro-4-nitrobenzenamine6627-34-552 % similar 1-Chloro-2,5-dimethoxy-4-nitrobenzene6940-53-049 % similar 5-Chloro-2-methyl-4-nitrobenzenamine13852-51-248 % similar 2-Amino-4-chloro-5-nitrophenol6358-07-248 % similar

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

Elsewhere

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