CAS 121-50-6|2-chloro-5-(trifluoromethyl)aniline|2-chloro-5-(trifluoromethyl)aniline|3-Amino-4-chlorobenzotrifluoride 98%|2-Chloro-5-(trifluoromethyl)aniline|3-AMINO-4-CHLOROBENZOTRIFLUORIDE|2-氯-5-(...

General Information

Structure

Molecular Formula

C₇H₅ClF₃N

Molecular Mass

195.5695096

Exact Mass

195.00626151

Charge

InChI

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

InChIKey

VKTTYIXIDXWHKW-UHFFFAOYSA-N

Canonic Smiles

Clc1ccc(cc1N)C(F)(F)F

Isomeric Smiles

Nc1c(ccc(c1)C(F)(F)F)Cl

Calculated Properties

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

2.6261342

LogD (pH = 7.4)

2.6262121

Log P

2.626213

Molar Refractivity

41.5369

Polarizability

14.663323

Polar Surface Area

26.02

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

IUPAC name

2-chloro-5-(trifluoromethyl)aniline

IUPAC Traditional name

2-chloro-5-(trifluoromethyl)aniline

Synonyms

3-Amino-4-chlorobenzotrifluoride 98%2-Chloro-5-(trifluoromethyl)aniline3-AMINO-4-CHLOROBENZOTRIFLUORIDE2-氯-5-(三氟甲基)苯胺3-氨基-4-氯三氟甲苯6-氯-α,α,α-三氟间甲苯胺2-Chloro-5-(trifluoromethyl)aniline3-Amino-4-chlorobenzotrifluoride6-Chloro-α,α,α-trifluoro-m-toluidine2-Chloro-5-(Trifluoromethyl)aniline

Names and Identifiers

Registration numbers

MDL Number

CAS Number

PubChem SID

PubChem CID

Beilstein Number