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Home > Nitro Compounds > 165133-15-3
165133-15-3 | 2,4,6(1H,3H,5H)-Pyrimidinetrione, 1,3-dimethyl-5-[2-(4-nitrophenyl)diazenyl]-
CAS No: 165133-15-3 Catalog No: AG001VAL MDL No:
Product Description
Catalog Number:
AG001VAL
Chemical Name:
2,4,6(1H,3H,5H)-Pyrimidinetrione, 1,3-dimethyl-5-[2-(4-nitrophenyl)diazenyl]-
CAS Number:
165133-15-3
Molecular Formula:
C12H11N5O5
Molecular Weight:
305.2462
IUPAC Name:
1,3-dimethyl-5-[(4-nitrophenyl)diazenyl]-1,3-diazinane-2,4,6-trione
InChI:
InChI=1S/C12H11N5O5/c1-15-10(18)9(11(19)16(2)12(15)20)14-13-7-3-5-8(6-4-7)17(21)22/h3-6,9H,1-2H3
InChI Key:
FXEBLMXAWAUNDB-UHFFFAOYSA-N
SMILES:
O=C1C(N=Nc2ccc(cc2)[N+](=O)[O-])C(=O)N(C(=O)N1C)C
Properties
Complexity:
511
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
305.076g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
305.25g/mol
Monoisotopic Mass:
305.076g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
128A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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