CAS 320-51-4|ACBT|4-chloro-3-(trifluoromethyl)aniline|5-Amino-2-chlorobenzotrifluoride|4-chloro-3-(trifluoromethyl)aniline|5-Amino-2-chlorobenzotrifluoride 97%|4-Chloro-3-(trifluoromethyl)aniline|4-...

General Information

Structure

Molecular Formula

C₇H₅ClF₃N

Molecular Mass

195.5695096

Exact Mass

195.00626151

Charge

InChI

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

InChIKey

ASPDJZINBYYZRU-UHFFFAOYSA-N

Canonic Smiles

Nc1ccc(c(c1)C(F)(F)F)Cl

Isomeric Smiles

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

Calculated Properties

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

2.6256418

LogD (pH = 7.4)

2.626206

Log P

2.626213

Molar Refractivity

41.5369

Polarizability

14.6638775

Polar Surface Area

26.02

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

IUPAC Traditional name

ACBT

IUPAC name

4-chloro-3-(trifluoromethyl)aniline

Synonyms

5-Amino-2-chlorobenzotrifluoride4-chloro-3-(trifluoromethyl)aniline5-Amino-2-chlorobenzotrifluoride 97%4-Chloro-3-(trifluoromethyl)aniline4-Chloro-α,α,α-trifluoro-m-toluidine4-氯-α,α,α-三氟间甲苯胺5-Amino-2-chlorobenzotrifluoride4-Chloro-3-(trifluoromethyl)benzenamine2-Chloro-5-aminobenzotrifluoride4-Chloro-3-(trifluoromethyl)-benzenamine5-氨基-2-氯三氟甲苯4-Chloro-3-(trifluoromethyl)aniline4-氯-3-(三氟甲基)苯胺3-Amino-6-chlorobenzotrifluorideNSC 61405(4-Chloro-3-trifluoromethylphenyl)amine3-(Trifluoromethyl)-4-chloroaniline5-氨基-2-氯三氟甲苯

Names and Identifiers

Registration numbers

MDL Number

CAS Number

PubChem SID

EC Number

Beilstein Number