CAS 445-03-4|CAS 433-94-3|4-chloro-2-(trifluoromethyl)aniline|4-chloro-2-(trifluoromethyl)aniline|2-Amino-5-chlorobenzotrifluoride|2-Amino-5-chlorobenzotrifluoride 99%|4-Chloro-2-(trifluoromethyl)an...

General Information

Structure

Molecular Formula

C₇H₅ClF₃N

Molecular Mass

195.5695096

Exact Mass

195.00626151

Charge

InChI

InChI=1S/C7H5ClF3N/c8-4-1-2-6(12)5(3-4)7(9,10)11/h1-3H,12H2

InChIKey

CVINWVPRKDIGLL-UHFFFAOYSA-N

Canonic Smiles

Clc1ccc(c(c1)C(F)(F)F)N

Isomeric Smiles

c1(c(ccc(c1)Cl)N)C(F)(F)F

Calculated Properties

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

2.6261683

LogD (pH = 7.4)

2.6262124

Log P

2.626213

Molar Refractivity

41.5369

Polarizability

14.652877

Polar Surface Area

26.02

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

IUPAC Traditional name

4-chloro-2-(trifluoromethyl)aniline

IUPAC name

4-chloro-2-(trifluoromethyl)aniline

Synonyms

2-Amino-5-chlorobenzotrifluoride2-Amino-5-chlorobenzotrifluoride 99%4-Chloro-2-(trifluoromethyl)aniline4-氯-2-(三氟甲基)苯胺4-Chloro-α,α,α-trifluoro-o-toluidine2-Amino-5-chlorobenzotrifluoride4-氯-α,α,α-三氟邻甲苯胺2-氨基-5-氯三氟甲苯4-Chloro-2-(trifluoromethyl)aniline4-Chloro-2-(Trifluoromethyl)aniline2-Amino-3-chlorobenzotrifluoride2-氨基-5-氯三氟甲苯2-氨基-3-氯三氟甲苯2-Chloro-6-(trifluoromethyl)aniline

Names and Identifiers

Registration numbers

MDL Number

MFCD00007841MFCD00272565

CAS Number

PubChem SID

PubChem CID

EC Number