CAS 202197-26-0|3-chloro-4-[(3-fluorophenyl)methoxy]aniline|3-chloro-4-[(3-fluorophenyl)methoxy]aniline|3-Chloro-4-((3-fluorobenzyl)oxy)aniline|3-Chloro-4-[(3-fluorobenzyl)oxy]aniline|3-Chloro-4-[(3...

General Information

Structure

Molecular Formula

C₁₃H₁₁ClFNO

Molecular Mass

251.6839432

Exact Mass

251.05131988

Charge

InChI

InChI=1S/C13H11ClFNO/c14-12-7-11(16)4-5-13(12)17-8-9-2-1-3-10(15)6-9/h1-7H,8,16H2

InChIKey

AYPFEYDGZDPAPE-UHFFFAOYSA-N

Canonic Smiles

Nc1ccc(c(c1)Cl)OCc1cccc(c1)F

Isomeric Smiles

Nc1cc(c(cc1)OCc1cc(ccc1)F)Cl

Calculated Properties

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

3.4392445

LogD (pH = 7.4)

3.4576287

Log P

3.4578683

Molar Refractivity

66.8554

Polarizability

25.134842

Polar Surface Area

35.25

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

IUPAC name

3-chloro-4-[(3-fluorophenyl)methoxy]aniline

IUPAC Traditional name

3-chloro-4-[(3-fluorophenyl)methoxy]aniline

Synonyms

3-Chloro-4-((3-fluorobenzyl)oxy)aniline3-Chloro-4-[(3-fluorobenzyl)oxy]aniline3-Chloro-4-[(3-fluorophenyl)methoxy]benzenamine3-Chloro-4-(3-fluorobenzyloxy)aniline [3-Chloro-4-(3-fluorobenzyloxy)phenyl]amine3-Chloro-4-[(3-fluorobenzyl)oxy]aniline4-(3-Fluorobenzyloxy)-3-chloroaniline3-Chloro-4-[(3-fluorophenyl)methoxy]aniline4-(3-fluorobenzyloxy)-3-chlorobenzenamine

Names and Identifiers

Registration numbers

CAS Number

MDL Number

PubChem SID

PubChem CID

Registration numbers

Properties