5-Chloro-2-nitro-4-(trifluoromethyl)aniline

C₇H₄ClF₃N₂O₂CAS 35375-74-7240.57 g/mol

Open in Covalent MOL file

Alkyl halide Aryl halide Nitro Primary amine

Properties

Molecular formula: C₇H₄ClF₃N₂O₂
Molar mass: 240.57 g/mol
Exact mass: 239.9913 Da
logP: 2.85Crippen estimate
Polar surface area: 69.2 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 1

Identifiers

CAS number

35375-74-7

SMILES

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

InChIKey

AAMCWLIPRMIPBN-UHFFFAOYSA-N

InChI

InChI=1S/C7H4ClF3N2O2/c8-4-2-5(12)6(13(14)15)1-3(4)7(9,10)11/h1-2H,12H2

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Names and synonyms

1 names

4-Amino-2-chloro-5-nitrobenzotrifluoride

Work with 5-Chloro-2-nitro-4-(trifluoromethyl)aniline

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-Dichloro-5-nitrobenzotrifluoride400-70-473 % similar 4,5-Dichloro-2-nitrobenzenamine6641-64-167 % similar 2-Chloro-5-nitro-1,4-benzenediamine26196-45-265 % similar 5-Chloro-4-fluoro-2-nitrobenzenamine104222-34-663 % similar 5-Chloro-2-nitro-4-(trifluoromethoxy)benzenamine914637-23-361 % similar 5-Chloro-4-methyl-2-nitrobenzenamine7149-80-659 % similar 2,5-Dichloro-4-nitrobenzenamine6627-34-556 % similar 2-Chloro-4-nitrobenzotrifluoride151504-80-255 % similar

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

Same formula

Methyl 2-chloro-4-(trifluoromethyl)pyrimidine-5-carboxylate175137-27-6 2-Chloro-4-nitro-6-(trifluoromethyl)benzenamine400-67-9

Elsewhere

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