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89144-74-1 | 1H-Pyrazole, 3-(4-chlorophenyl)-4,5-dihydro-5-phenyl-
CAS No: 89144-74-1 Catalog No: AG003WWQ MDL No:
Product Description
Catalog Number:
AG003WWQ
Chemical Name:
1H-Pyrazole, 3-(4-chlorophenyl)-4,5-dihydro-5-phenyl-
CAS Number:
89144-74-1
Molecular Formula:
C15H13ClN2
Molecular Weight:
256.7301
IUPAC Name:
3-(4-chlorophenyl)-5-phenyl-4,5-dihydro-1H-pyrazole
InChI:
InChI=1S/C15H13ClN2/c16-13-8-6-12(7-9-13)15-10-14(17-18-15)11-4-2-1-3-5-11/h1-9,14,17H,10H2
InChI Key:
SMVUTOJEDURWID-UHFFFAOYSA-N
SMILES:
Clc1ccc(cc1)C1=NNC(C1)c1ccccc1
Properties
Complexity:
302
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
256.077g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
256.733g/mol
Monoisotopic Mass:
256.077g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
24.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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