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Home > Nitro Compounds > 15824-23-4
15824-23-4 | 3H-Pyrazol-3-one, 2,4-dihydro-4-[2-(2-hydroxy-5-methyl-3-nitrophenyl)diazenyl]-5-methyl-2-phenyl-
CAS No: 15824-23-4 Catalog No: AG001Q23 MDL No:
Product Description
Catalog Number:
AG001Q23
Chemical Name:
3H-Pyrazol-3-one, 2,4-dihydro-4-[2-(2-hydroxy-5-methyl-3-nitrophenyl)diazenyl]-5-methyl-2-phenyl-
CAS Number:
15824-23-4
Molecular Formula:
C17H15N5O4
Molecular Weight:
353.3321
IUPAC Name:
4-[(2-hydroxy-5-methyl-3-nitrophenyl)diazenyl]-5-methyl-2-phenyl-4H-pyrazol-3-one
InChI:
InChI=1S/C17H15N5O4/c1-10-8-13(16(23)14(9-10)22(25)26)18-19-15-11(2)20-21(17(15)24)12-6-4-3-5-7-12/h3-9,15,23H,1-2H3
InChI Key:
KWJWDVPQMWEOCJ-UHFFFAOYSA-N
SMILES:
Cc1cc(N=NC2C(=NN(C2=O)c2ccccc2)C)c(c(c1)[N+](=O)[O-])O
EC Number:
239-922-5
Properties
Complexity:
611
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
353.112g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
353.338g/mol
Monoisotopic Mass:
353.112g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
123A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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