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Home > Nitro Compounds > 15866-34-9
15866-34-9 | 3H-Pyrazol-3-one, 2,4-dihydro-5-methyl-4-[2-(3-nitrophenyl)diazenyl]-2-phenyl-
CAS No: 15866-34-9 Catalog No: AG001QQA MDL No:
Product Description
Catalog Number:
AG001QQA
Chemical Name:
3H-Pyrazol-3-one, 2,4-dihydro-5-methyl-4-[2-(3-nitrophenyl)diazenyl]-2-phenyl-
CAS Number:
15866-34-9
Molecular Formula:
C16H13N5O3
Molecular Weight:
323.3061
IUPAC Name:
5-methyl-4-[(3-nitrophenyl)diazenyl]-2-phenyl-4H-pyrazol-3-one
InChI:
InChI=1S/C16H13N5O3/c1-11-15(16(22)20(19-11)13-7-3-2-4-8-13)18-17-12-6-5-9-14(10-12)21(23)24/h2-10,15H,1H3
InChI Key:
PZXOCQUAKJQUKL-UHFFFAOYSA-N
SMILES:
CC1=NN(C(=O)C1N=Nc1cccc(c1)[N+](=O)[O-])c1ccccc1
Properties
Complexity:
550
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
323.102g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
323.312g/mol
Monoisotopic Mass:
323.102g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
103A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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