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89630-07-9 | Propanedinitrile, (5-chloro-1,5-diphenyl-2,4-pentadienylidene)-
CAS No: 89630-07-9 Catalog No: AG003X8D MDL No:
Product Description
Catalog Number:
AG003X8D
Chemical Name:
Propanedinitrile, (5-chloro-1,5-diphenyl-2,4-pentadienylidene)-
CAS Number:
89630-07-9
Molecular Formula:
C20H13ClN2
Molecular Weight:
316.7836
IUPAC Name:
2-(5-chloro-1,5-diphenylpenta-2,4-dienylidene)propanedinitrile
InChI:
InChI=1S/C20H13ClN2/c21-20(17-10-5-2-6-11-17)13-7-12-19(18(14-22)15-23)16-8-3-1-4-9-16/h1-13H
InChI Key:
JHVMQZWXFDSZQW-UHFFFAOYSA-N
SMILES:
N#CC(=C(c1ccccc1)C=CC=C(c1ccccc1)Cl)C#N
Properties
Complexity:
564
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
316.077g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
316.788g/mol
Monoisotopic Mass:
316.077g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
47.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
2
XLogP3:
5.6
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