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Home > Nitro Compounds > 20147-63-1
20147-63-1 | 1H-Pyrazole, 3-(4-nitrophenyl)-1-phenyl-
CAS No: 20147-63-1 Catalog No: AG002DG9 MDL No:
Product Description
Catalog Number:
AG002DG9
Chemical Name:
1H-Pyrazole, 3-(4-nitrophenyl)-1-phenyl-
CAS Number:
20147-63-1
Molecular Formula:
C15H11N3O2
Molecular Weight:
265.2667
IUPAC Name:
3-(4-nitrophenyl)-1-phenylpyrazole
InChI:
InChI=1S/C15H11N3O2/c19-18(20)14-8-6-12(7-9-14)15-10-11-17(16-15)13-4-2-1-3-5-13/h1-11H
InChI Key:
OASOSAYYSACSBS-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc(cc1)c1ccn(n1)c1ccccc1
Properties
Complexity:
331
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
265.085g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
265.272g/mol
Monoisotopic Mass:
265.085g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
63.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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