CAS 118-83-2|5-Chloro-2-nitrobenzotrifluoride|4-chloro-1-nitro-2-(trifluoromethyl)benzene|4-chloro-1-nitro-2-(trifluoromethyl)benzene|5-Chloro-2-nitrobenzotrifluoride 99%|4-Chloro-2-(trifluoromethyl...

General Information

Structure

Molecular Formula

C₇H₃ClF₃NO₂

Molecular Mass

225.5524296

Exact Mass

224.98044068

Charge

InChI

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

InChIKey

CFPIGEXZPWTNOR-UHFFFAOYSA-N

Canonic Smiles

Clc1ccc(c(c1)C(F)(F)F)[N+](=O)[O-]

Isomeric Smiles

c1(c(ccc(c1)Cl)[N+](=O)[O-])C(F)(F)F

Calculated Properties

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

3.3951232

LogD (pH = 7.4)

3.3951232

Log P

3.3951232

Molar Refractivity

43.157

Polarizability

15.662388

Polar Surface Area

43.14

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

Synonyms

5-Chloro-2-nitrobenzotrifluoride5-Chloro-2-nitrobenzotrifluoride 99%4-Chloro-2-(trifluoromethyl)nitrobenzene5-氯-2-硝基-α,α,α-三氟甲苯4-氯-1-硝基-2-三氟甲基苯5-氯-2-硝基三氟甲苯5-Chloro-2-nitro-α,α,α-trifluorotoluene5-Chloro-2-nitrobenzotrifluoride4-Chloro-1-nitro-2-(trifluoromethyl)benzene5-氯-2-硝基三氟苯5-Chloro-2-nitrobenzotrifluoride

IUPAC Traditional name

4-chloro-1-nitro-2-(trifluoromethyl)benzene

IUPAC name

4-chloro-1-nitro-2-(trifluoromethyl)benzene

Names and Identifiers

Registration numbers

CAS Number

118-83-2

MDL Number

MFCD00007298

Beilstein Number

1973477