CAS 101-79-1|4-(4-chlorophenoxy)aniline|4-(4-chlorophenoxy)aniline|4-(4-Chlorophenoxy)aniline|4-Amino-4'-chlorodiphenyl ether|4-(4-Chlorophenoxy)aniline|4'-氯-4-氨基二苯醚|4-AMINO-4'-CHLORODIPHENYL ...

General Information

Structure

Molecular Formula

C₁₂H₁₀ClNO

Molecular Mass

219.6669

Exact Mass

219.04509163

Charge

InChI

InChI=1S/C12H10ClNO/c13-9-1-5-11(6-2-9)15-12-7-3-10(14)4-8-12/h1-8H,14H2

InChIKey

YTISFYMPVILQRL-UHFFFAOYSA-N

Canonic Smiles

Nc1ccc(cc1)Oc1ccc(cc1)Cl

Isomeric Smiles

O(c1ccc(N)cc1)c1ccc(Cl)cc1

Calculated Properties

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

3.2313673

LogD (pH = 7.4)

3.2484298

Log P

3.2486517

Molar Refractivity

61.804

Polarizability

23.649393

Polar Surface Area

35.25

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

IUPAC name

4-(4-chlorophenoxy)aniline

IUPAC Traditional name

4-(4-chlorophenoxy)aniline

Synonyms

4-(4-Chlorophenoxy)aniline4-Amino-4'-chlorodiphenyl ether4-(4-Chlorophenoxy)aniline4'-氯-4-氨基二苯醚4-AMINO-4'-CHLORODIPHENYL ETHER4'-Chloro-4-Amino Diphenyl Ether4-(4-Chlorophenoxy)aniline4-Amino-4'-chlorodiphenyl ether4-氨基-4-氯联苯醚

Names and Identifiers

Registration numbers

EC Number

MDL Number

CAS Number

PubChem CID

PubChem SID