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Home > Nitro Compounds > 29334-69-8
29334-69-8 | 1H-Pyrazole, 5-methyl-1-(2-nitrophenyl)-3-phenyl-
CAS No: 29334-69-8 Catalog No: AG002Y40 MDL No:
Product Description
Catalog Number:
AG002Y40
Chemical Name:
1H-Pyrazole, 5-methyl-1-(2-nitrophenyl)-3-phenyl-
CAS Number:
29334-69-8
Molecular Formula:
C16H13N3O2
Molecular Weight:
279.2933
IUPAC Name:
5-methyl-1-(2-nitrophenyl)-3-phenylpyrazole
InChI:
InChI=1S/C16H13N3O2/c1-12-11-14(13-7-3-2-4-8-13)17-18(12)15-9-5-6-10-16(15)19(20)21/h2-11H,1H3
InChI Key:
LQPCIIPZRKAUHA-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccccc1n1nc(cc1C)c1ccccc1
Properties
Complexity:
365
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
279.101g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
279.299g/mol
Monoisotopic Mass:
279.101g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
63.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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