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Home > Nitro Compounds > 84255-11-8
84255-11-8 | 1,3-Cyclohexanedione,5,5-dimethyl-2-[2-(4-methyl-3-nitrophenyl)diazenyl]-
CAS No: 84255-11-8 Catalog No: AG004U6R MDL No:
Product Description
Catalog Number:
AG004U6R
Chemical Name:
1,3-Cyclohexanedione,5,5-dimethyl-2-[2-(4-methyl-3-nitrophenyl)diazenyl]-
CAS Number:
84255-11-8
Molecular Formula:
C15H17N3O4
Molecular Weight:
303.3132
IUPAC Name:
5,5-dimethyl-2-[(4-methyl-3-nitrophenyl)diazenyl]cyclohexane-1,3-dione
InChI:
InChI=1S/C15H17N3O4/c1-9-4-5-10(6-11(9)18(21)22)16-17-14-12(19)7-15(2,3)8-13(14)20/h4-6,14H,7-8H2,1-3H3
InChI Key:
HZEHEXLYQVLMSV-UHFFFAOYSA-N
SMILES:
O=C1CC(C)(C)CC(=O)C1N=Nc1ccc(c(c1)[N+](=O)[O-])C
EC Number:
282-558-7
Properties
Complexity:
489
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
303.122g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
303.318g/mol
Monoisotopic Mass:
303.122g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
105A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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