CAS 95-69-2|4-chloro-o-toluidine|4-Chloro-2-methylaniline|4-chloro-2-methylaniline|2-AMINO-5-CHLOROTOLUENE|para-Chloro-ortho-toluidine|4-Chloro-2-toluidine|p-Chloro-o-tol...

General Information

Structure

Molecular Formula

C₇H₈ClN

Molecular Mass

141.59812

Exact Mass

141.03452694

Charge

InChI

InChI=1S/C7H8ClN/c1-5-4-6(8)2-3-7(5)9/h2-4H,9H2,1H3

InChIKey

CXNVOWPRHWWCQR-UHFFFAOYSA-N

Canonic Smiles

Clc1ccc(c(c1)C)N

Isomeric Smiles

Nc1c(cc(cc1)Cl)C

Calculated Properties

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

2.2583106

LogD (pH = 7.4)

2.261742

Log P

2.261786

Molar Refractivity

40.6044

Polarizability

15.080948

Polar Surface Area

26.02

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

IUPAC Traditional name

4-chloro-o-toluidine 2-methyl-4-chloroaniline

Synonyms

4-Chloro-2-methylaniline2-AMINO-5-CHLOROTOLUENE4-Chloro-o-toluidine5-Chloro-2-aminotoluenep-Chloro-o-toluidine2-Amino-5-chlorotoluene2-Methyl-4-chloroaniline4-Chloro-2-toluidinepara-Chloro-ortho-toluidine2-氨基-5-氯甲苯4-氯-2-甲基苯胺4-氯邻甲苯胺4-Chloro-2-methylaniline4-Chloro-o-toluidine

IUPAC name

4-chloro-2-methylaniline

Names and Identifiers

Registration numbers

EC Number

CAS Number

Beilstein Number

MDL Number