CAS 3218-36-8|4-Biphenylcarboxaldehyde|4-Phenylbenzaldehyde 98%|4-phenylbenzaldehyde|4-phenylbenzaldehyde|p-PHENYLBENZALDEHYDE|DIPHENYL-4-CARBOXALDEHYDE|p-PHENYLBENZALDEHYDE|Biphenyl-4-aldehyde|DIPH...

General Information

Structure

Molecular Formula

C₁₃H₁₀O

Molecular Mass

182.2179

Exact Mass

182.07316494

Charge

InChI

InChI=1S/C13H10O/c14-10-11-6-8-13(9-7-11)12-4-2-1-3-5-12/h1-10H

InChIKey

ISDBWOPVZKNQDW-UHFFFAOYSA-N

Canonic Smiles

O=Cc1ccc(cc1)c1ccccc1

Isomeric Smiles

O=Cc1ccc(cc1)c1ccccc1

Calculated Properties

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

3.3329735

LogD (pH = 7.4)

3.3329735

Log P

3.3329735

Molar Refractivity

57.7782

Polarizability

23.300684

Polar Surface Area

17.07

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

Synonyms

4-Biphenylcarboxaldehyde4-Phenylbenzaldehyde 98%p-PHENYLBENZALDEHYDEDIPHENYL-4-CARBOXALDEHYDEp-PHENYLBENZALDEHYDEBiphenyl-4-aldehydeDIPHENYL-4-CARBOXALDEHYDEBiphenyl-4-carboxaldehyde对苯基苯甲醛联苯-4-甲醛4-苯基苯甲醛4-Phenylbenzaldehyde

IUPAC name

4-phenylbenzaldehyde

IUPAC Traditional name

4-phenylbenzaldehyde

Names and Identifiers

Registration numbers

CAS Number

3218-36-8

EC Number

221-742-3

MDL Number

MFCD00006947