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88405-58-7 | 2(1H)-Pyrimidinone, 4-amino-5-hydroxy-6-[(4-nitrophenyl)azo]-
CAS No: 88405-58-7 Catalog No: AG004F3O MDL No:
Product Description
Catalog Number:
AG004F3O
Chemical Name:
2(1H)-Pyrimidinone, 4-amino-5-hydroxy-6-[(4-nitrophenyl)azo]-
CAS Number:
88405-58-7
Molecular Formula:
C10H8N6O4
Molecular Weight:
276.2083
IUPAC Name:
6-amino-5-hydroxy-4-[(4-nitrophenyl)diazenyl]-1H-pyrimidin-2-one
InChI:
InChI=1S/C10H8N6O4/c11-8-7(17)9(13-10(18)12-8)15-14-5-1-3-6(4-2-5)16(19)20/h1-4,17H,(H3,11,12,13,18)
InChI Key:
IWNFBUVZQIOHGU-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc(cc1)N=Nc1[nH]c(=O)nc(c1O)N
Properties
Complexity:
512
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
276.061g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
276.212g/mol
Monoisotopic Mass:
276.061g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
158A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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