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828911-78-0 | 1H-Pyrazole, 1-phenyl-3,5-bis(2-phenylethenyl)-
CAS No: 828911-78-0 Catalog No: AG004S96 MDL No:
Product Description
Catalog Number:
AG004S96
Chemical Name:
1H-Pyrazole, 1-phenyl-3,5-bis(2-phenylethenyl)-
CAS Number:
828911-78-0
Molecular Formula:
C25H20N2
Molecular Weight:
348.4397
IUPAC Name:
1-phenyl-3,5-bis(2-phenylethenyl)pyrazole
InChI:
InChI=1S/C25H20N2/c1-4-10-21(11-5-1)16-18-23-20-25(19-17-22-12-6-2-7-13-22)27(26-23)24-14-8-3-9-15-24/h1-20H
InChI Key:
LTKSDKSKARLKBA-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)C=Cc1nn(c(c1)C=Cc1ccccc1)c1ccccc1
Properties
Complexity:
479
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
348.163g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
348.449g/mol
Monoisotopic Mass:
348.163g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
17.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
2
XLogP3:
6.5
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