2-Chloro-4-nitrobenzotrifluoride

C₇H₃ClF₃NO₂CAS 151504-80-2225.55 g/mol

Open in Covalent MOL file

Alkyl halide Aryl halide Nitro

Properties

Molecular formula: C₇H₃ClF₃NO₂
Molar mass: 225.55 g/mol
Exact mass: 224.9804 Da
logP: 3.27Crippen estimate
Polar surface area: 43.1 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 1

Identifiers

CAS number

151504-80-2

SMILES

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

InChIKey

MOTWHSMEZCFDOD-UHFFFAOYSA-N

InChI

InChI=1S/C7H3ClF3NO2/c8-6-3-4(12(13)14)1-2-5(6)7(9,10)11/h1-3H

Weigh it out

Type any one amount. The others follow from the molar mass.

Work with 2-Chloro-4-nitrobenzotrifluoride

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-Methyl-4-nitrobenzotrifluoride1960-52-763 % similar 2-Chloro-4-nitro-6-(trifluoromethyl)benzenamine400-67-963 % similar 1,2-Dichloro-4-nitrobenzene99-54-762 % similar 2,4-Dichloro-5-nitrobenzotrifluoride400-70-461 % similar 2-Fluoro-5-nitrobenzotrifluoride400-74-861 % similar 3-Chloro-4-fluoronitrobenzene350-30-159 % similar 4-Nitro-2-(trifluoromethyl)aniline121-01-759 % similar 2-Bromo-5-nitrobenzotrifluoride367-67-959 % similar

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

Same formula

5-Chloro-2-nitrobenzotrifluoride118-83-2 1-Chloro-2-nitro-4-(trifluoromethyl)benzene121-17-5 2-Chloro-6-trifluoromethylnicotinic acid280566-45-2 2-Chloro-1-nitro-3-(trifluoromethyl)benzene39974-35-1 3-Chloro-4-nitrobenzotrifluoride402-11-9 2-Chloro-5-nitrobenzotrifluoride777-37-7

Elsewhere

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