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10252-53-6 | 1H-Pyrazole, 1,5-diphenyl-3-(2-phenylethenyl)-
CAS No: 10252-53-6 Catalog No: AG0007NR MDL No:
Product Description
Catalog Number:
AG0007NR
Chemical Name:
1H-Pyrazole, 1,5-diphenyl-3-(2-phenylethenyl)-
CAS Number:
10252-53-6
Molecular Formula:
C23H18N2
Molecular Weight:
322.4024
IUPAC Name:
1,5-diphenyl-3-(2-phenylethenyl)pyrazole
InChI:
InChI=1S/C23H18N2/c1-4-10-19(11-5-1)16-17-21-18-23(20-12-6-2-7-13-20)25(24-21)22-14-8-3-9-15-22/h1-18H
InChI Key:
VDVHHUHPMIIPIZ-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)C=Cc1cc(n(n1)c1ccccc1)c1ccccc1
Properties
Complexity:
414
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
322.147g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
322.411g/mol
Monoisotopic Mass:
322.147g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
17.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
5.9
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