3-Chloro-4-nitrobenzotrifluoride

C₇H₃ClF₃NO₂CAS 402-11-9225.55 g/mol

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Alkyl halide Aryl halide Nitro

Properties

Molecular formula: C₇H₃ClF₃NO₂
Molar mass: 225.55 g/mol
Exact mass: 224.9804 Da
Density: 1.527 g/mL (at 24 °C)
Boiling point: 116 °C (at 28 Torr)
logP: 3.27Crippen estimate
Polar surface area: 43.1 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 1

Identifiers

CAS number

402-11-9

SMILES

O=[N+]([O-])c1ccc(C(F)(F)F)cc1Cl

InChIKey

CZWWSPDHNLAYRJ-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Names and synonyms

4 names

Benzene, 2-chloro-1-nitro-4-(trifluoromethyl)-
Toluene, 3-chloro-4-nitro-α,α,α-trifluoro-
2-Chloro-1-nitro-4-(trifluoromethyl)benzene
2-Chloro-4-(trifluoromethyl)-1-nitrobenzene

Work with 3-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

Same formula

5-Chloro-2-nitrobenzotrifluoride118-83-2 1-Chloro-2-nitro-4-(trifluoromethyl)benzene121-17-5 2-Chloro-1-nitro-3-(trifluoromethyl)benzene39974-35-1 2-Chloro-5-nitrobenzotrifluoride777-37-7

Elsewhere

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