CAS 109919-26-8|2-bromo-6-chloro-4-(trifluoromethyl)aniline|2-bromo-6-chloro-4-(trifluoromethyl)aniline|2-Bromo-6-chloro-4-(trifluoromethyl)aniline|2-溴-6-4-(三氟甲基)苯胺|2-Bromo-6-chloro-4-(triflu...

General Information

Structure

Molecular Formula

C₇H₄BrClF₃N

Molecular Mass

274.4655696

Exact Mass

272.91677347

Charge

InChI

InChI=1S/C7H4BrClF3N/c8-4-1-3(7(10,11)12)2-5(9)6(4)13/h1-2H,13H2

InChIKey

OVJCOPVKCCJSFE-UHFFFAOYSA-N

Canonic Smiles

Clc1cc(cc(c1N)Br)C(F)(F)F

Isomeric Smiles

C(c1cc(c(c(c1)Cl)N)Br)(F)(F)F

Calculated Properties

JChem

Acid pKa

18.381683

H Acceptors

H Donor

LogD (pH = 5.5)

3.3949418

LogD (pH = 7.4)

3.3949654

Log P

3.3949656

Molar Refractivity

49.1597

Polarizability

17.861525

Polar Surface Area

26.02

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

IUPAC name

2-bromo-6-chloro-4-(trifluoromethyl)aniline

IUPAC Traditional name

2-bromo-6-chloro-4-(trifluoromethyl)aniline

Synonyms

2-Bromo-6-chloro-4-(trifluoromethyl)aniline2-溴-6-4-(三氟甲基)苯胺2-Bromo-6-chloro-4-(trifluoromethyl)aniline4-Amino-3-bromo-5-chlorobenzotrifluoride4-Amino-3-bromo-5-chlorobenzotrifluoride 98%2-Bromo-6-chloro-4-(trifluoromethyl)aniline2-溴-6-氯-4-(三氟甲基)苯胺

Names and Identifiers

Registration numbers

MDL Number

CAS Number

PubChem SID

EC Number

PubChem CID