CAS 121-17-5|1-chloro-2-nitro-4-(trifluoromethyl)benzene|4-Chloro-3-nitrobenzotrifluoride|1-chloro-2-nitro-4-(trifluoromethyl)benzene|2-氯-5-三氟甲基硝基苯|4-Chloro-3-nitrobenzotrifluoride|4-Chloro-...

General Information

Structure

Molecular Formula

C₇H₃ClF₃NO₂

Molecular Mass

225.5524296

Exact Mass

224.98044068

Charge

InChI

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

InChIKey

TZGFQIXRVUHDLE-UHFFFAOYSA-N

Canonic Smiles

[O-][N+](=O)c1cc(ccc1Cl)C(F)(F)F

Isomeric Smiles

c1(ccc(cc1[N+](=O)[O-])C(F)(F)F)Cl

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

15.684477

Polar Surface Area

43.14

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

IUPAC name

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

Synonyms

4-Chloro-3-nitrobenzotrifluoride2-氯-5-三氟甲基硝基苯4-Chloro-3-nitrobenzotrifluoride4-Chloro-3-nitro-α,α,α-trifluorotoluene4-氯-3-硝基-α,α,α-三氟甲苯2-Chloro-5-(trifluoromethyl)nitrobenzeneMNT-ClCMNT4-氯-3-硝基三氟甲苯4-Chloro-3-nitrobenzotrifluoride 98%3-Nitro-4-chlorobenzotrifluoride1-Chloro-2-nitro-4-(trifluoromethyl)benzene

IUPAC Traditional name

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

Names and Identifiers

Registration numbers

MDL Number

CAS Number

EC Number

PubChem SID