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87995-93-5 | 2-Propenenitrile, 3-(1,3-diphenyl-1H-pyrazol-5-yl)-, (Z)-
CAS No: 87995-93-5 Catalog No: AG004O7G MDL No:
Product Description
Catalog Number:
AG004O7G
Chemical Name:
2-Propenenitrile, 3-(1,3-diphenyl-1H-pyrazol-5-yl)-, (Z)-
CAS Number:
87995-93-5
Molecular Formula:
C18H13N3
Molecular Weight:
271.3159
IUPAC Name:
3-(2,5-diphenylpyrazol-3-yl)prop-2-enenitrile
InChI:
InChI=1S/C18H13N3/c19-13-7-12-17-14-18(15-8-3-1-4-9-15)20-21(17)16-10-5-2-6-11-16/h1-12,14H
InChI Key:
YNBQFIDSDATAJK-UHFFFAOYSA-N
SMILES:
N#C/C=C\c1cc(nn1c1ccccc1)c1ccccc1
Properties
Complexity:
396
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
271.111g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
271.323g/mol
Monoisotopic Mass:
271.111g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
41.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.7
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