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Home > Nitro Compounds > 88405-60-1
88405-60-1 | 2,4(1H,3H)-Pyrimidinedione, 5-hydroxy-6-[(4-nitrophenyl)azo]-
CAS No: 88405-60-1 Catalog No: AG004I8T MDL No:
Product Description
Catalog Number:
AG004I8T
Chemical Name:
2,4(1H,3H)-Pyrimidinedione, 5-hydroxy-6-[(4-nitrophenyl)azo]-
CAS Number:
88405-60-1
Molecular Formula:
C10H7N5O5
Molecular Weight:
277.1931
IUPAC Name:
5-hydroxy-6-[(4-nitrophenyl)diazenyl]-1H-pyrimidine-2,4-dione
InChI:
InChI=1S/C10H7N5O5/c16-7-8(11-10(18)12-9(7)17)14-13-5-1-3-6(4-2-5)15(19)20/h1-4,16H,(H2,11,12,17,18)
InChI Key:
GPATWRKFPQWHJK-UHFFFAOYSA-N
SMILES:
O=c1[nH]c(N=Nc2ccc(cc2)[N+](=O)[O-])c(c(=O)[nH]1)O
Properties
Complexity:
501
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
277.045g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
277.196g/mol
Monoisotopic Mass:
277.045g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
149A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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