CAS 54962-75-3|3-bromo-5-(trifluoromethyl)aniline|3-bromo-5-(trifluoromethyl)aniline|3-Amino-5-bromobenzotrifluoride|3-氨基-5-溴三氟甲苯|3-Amino-5-bromobenzotrifluoride|3-Bromo-5-trifluoromethylanil...

General Information

Structure

Molecular Formula

C₇H₅BrF₃N

Molecular Mass

240.0205096

Exact Mass

238.95574583

Charge

InChI

InChI=1S/C7H5BrF3N/c8-5-1-4(7(9,10)11)2-6(12)3-5/h1-3H,12H2

InChIKey

HJTLKVYOWNTDPF-UHFFFAOYSA-N

Canonic Smiles

Nc1cc(Br)cc(c1)C(F)(F)F

Isomeric Smiles

FC(F)(F)c1cc(cc(c1)Br)N

Calculated Properties

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

2.7904048

LogD (pH = 7.4)

2.7909145

Log P

2.790921

Molar Refractivity

44.3549

Polarizability

15.834606

Polar Surface Area

26.02

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

IUPAC Traditional name

3-bromo-5-(trifluoromethyl)aniline

Synonyms

3-Amino-5-bromobenzotrifluoride3-氨基-5-溴三氟甲苯3-Amino-5-bromobenzotrifluoride3-Bromo-5-trifluoromethylaniline3-bromo-5-(trifluoromethyl)aniline3-Amino-5-bromobenzotrifluoride3-Bromo-5-(trifluoromethyl)aniline3-Bromo-5-(trifluoromethyl)aniline3-Amino-5-bromobenzotrifluoride 98%

IUPAC name

3-bromo-5-(trifluoromethyl)aniline

Names and Identifiers

Registration numbers

MDL Number

CAS Number

PubChem SID

EC Number