CAS 4274-03-7|2-Amino-4-chloroanisole hydrochloride|5-chloro-2-methoxyaniline hydrochloride|5-Chloro-2-methoxyaniline hydrochloride|5-chloro-2-methoxyaniline hydrochloride|5-Chloro-o-anisidine hydro...

General Information

Structure

Molecular Formula

C₇H₉Cl₂NO

Molecular Mass

194.05846

Exact Mass

193.00611927

Charge

InChI

InChI=1S/C7H8ClNO.ClH/c1-10-7-3-2-5(8)4-6(7)9;/h2-4H,9H2,1H3;1H

InChIKey

ASEYMHNCCXSHIL-UHFFFAOYSA-N

Canonic Smiles

COc1ccc(cc1N)Cl.Cl

Isomeric Smiles

Nc1cc(ccc1OC)Cl.Cl

Calculated Properties

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

1.5871061

LogD (pH = 7.4)

1.5906479

Log P

1.5906932

Molar Refractivity

42.0264

Polarizability

15.859723

Polar Surface Area

35.25

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

Synonyms

2-Amino-4-chloroanisole hydrochloride5-Chloro-2-methoxyaniline hydrochloride5-Chloro-o-anisidine hydrochloride2-AMINO-4-CHLORO ANISOLE, DIAZO SALTp-CHLORO-o-AMINOANISOLE HYDROCHLORIDE, REAGENT GRADE5-Chloro-2-methoxyaniline hydrochloride5-氯-2-甲氧基苯胺.盐酸盐

IUPAC Traditional name

5-chloro-2-methoxyaniline hydrochloride

IUPAC name

5-chloro-2-methoxyaniline hydrochloride

Names and Identifiers

Registration numbers

CAS Number

4274-03-7

EC Number

224-272-7

MDL Number

MFCD00035488