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68386-89-0

68386-89-0 | 1,4-Pentadien-3-one, 1-(4-chlorophenyl)-5-phenyl-, (E,E)-

CAS No: 68386-89-0 Catalog No: AG005QO9 MDL No:

Product Description

Catalog Number:
AG005QO9
Chemical Name:
1,4-Pentadien-3-one, 1-(4-chlorophenyl)-5-phenyl-, (E,E)-
CAS Number:
68386-89-0
Molecular Formula:
C17H13ClO
Molecular Weight:
268.7375
IUPAC Name:
1-(4-chlorophenyl)-5-phenylpenta-1,4-dien-3-one
InChI:
InChI=1S/C17H13ClO/c18-16-10-6-15(7-11-16)9-13-17(19)12-8-14-4-2-1-3-5-14/h1-13H
InChI Key:
PZAALISHZLYIHV-UHFFFAOYSA-N
SMILES:
O=C(/C=C/c1ccccc1)/C=C/c1ccc(cc1)Cl

Properties

Complexity:
331  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
268.065g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
268.74g/mol
Monoisotopic Mass:
268.065g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
2  
XLogP3:
4.7  

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