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Home > Nitro Compounds > 89010-51-5
89010-51-5 | 1,3-Butanedione, 2-[(4-methyl-3-nitrophenyl)azo]-1-phenyl-
CAS No: 89010-51-5 Catalog No: AG0044N4 MDL No:
Product Description
Catalog Number:
AG0044N4
Chemical Name:
1,3-Butanedione, 2-[(4-methyl-3-nitrophenyl)azo]-1-phenyl-
CAS Number:
89010-51-5
Molecular Formula:
C17H15N3O4
Molecular Weight:
325.3187
IUPAC Name:
2-[(4-methyl-3-nitrophenyl)diazenyl]-1-phenylbutane-1,3-dione
InChI:
InChI=1S/C17H15N3O4/c1-11-8-9-14(10-15(11)20(23)24)18-19-16(12(2)21)17(22)13-6-4-3-5-7-13/h3-10,16H,1-2H3
InChI Key:
FVSJETXELSUKDL-UHFFFAOYSA-N
SMILES:
CC(=O)C(C(=O)c1ccccc1)N=Nc1ccc(c(c1)[N+](=O)[O-])C
Properties
Complexity:
509
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
325.106g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
325.324g/mol
Monoisotopic Mass:
325.106g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
105A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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