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Home > Nitro Compounds > 10252-45-6
10252-45-6 | 1H-Pyrazole, 4,5-dihydro-1-(4-nitrophenyl)-3,5-diphenyl-
CAS No: 10252-45-6 Catalog No: AG0007NT MDL No:
Product Description
Catalog Number:
AG0007NT
Chemical Name:
1H-Pyrazole, 4,5-dihydro-1-(4-nitrophenyl)-3,5-diphenyl-
CAS Number:
10252-45-6
Molecular Formula:
C21H17N3O2
Molecular Weight:
343.3786
IUPAC Name:
2-(4-nitrophenyl)-3,5-diphenyl-3,4-dihydropyrazole
InChI:
InChI=1S/C21H17N3O2/c25-24(26)19-13-11-18(12-14-19)23-21(17-9-5-2-6-10-17)15-20(22-23)16-7-3-1-4-8-16/h1-14,21H,15H2
InChI Key:
UJRZNOKABKPMIK-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc(cc1)N1N=C(CC1c1ccccc1)c1ccccc1
Properties
Complexity:
510
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
343.132g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
343.386g/mol
Monoisotopic Mass:
343.132g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
61.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.9
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