CAS 18278-29-0 | 1,4-Pentadien-3-one, 1,5-bis(4-chlorophenyl)- | CAS Number 18278-29-0

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18278-29-0 | 1,4-Pentadien-3-one, 1,5-bis(4-chlorophenyl)-

CAS No: 18278-29-0 Catalog No: AG00244H MDL No:

Product Description

Catalog Number:

AG00244H

Chemical Name:

1,4-Pentadien-3-one, 1,5-bis(4-chlorophenyl)-

CAS Number:

18278-29-0

Molecular Formula:

C17H12Cl2O

Molecular Weight:

303.1826

IUPAC Name:

1,5-bis(4-chlorophenyl)penta-1,4-dien-3-one

InChI:

InChI=1S/C17H12Cl2O/c18-15-7-1-13(2-8-15)5-11-17(20)12-6-14-3-9-16(19)10-4-14/h1-12H

InChI Key:

KKVCZNHIJHTDFP-UHFFFAOYSA-N

SMILES:

O=C(C=Cc1ccc(cc1)Cl)C=Cc1ccc(cc1)Cl

Properties

Complexity:

325

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

302.027g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

303.182g/mol

Monoisotopic Mass:

302.027g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

17.1A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

5.4

Literature

Title	Journal
(1E,4E)-1-(3-Nitro-phen-yl)-5-phenyl-penta-1,4-dien-3-one.	Acta crystallographica. Section E, Structure reports online 20120101
Ethyl 1-formamido-4-oxo-2,6-diphenyl-cyclo-hexa-necarboxyl-ate.	Acta crystallographica. Section E, Structure reports online 20110201
(1E,4E)-1,5-Bis(4-methyl-phen-yl)penta-1,4-dien-3-one.	Acta crystallographica. Section E, Structure reports online 20080801