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88499-67-6 | 2,4(1H,3H)-Pyridinedione, 5-iodo-6-methyl-3-nitroso-
CAS No: 88499-67-6 Catalog No: AG00495L MDL No:
Product Description
Catalog Number:
AG00495L
Chemical Name:
2,4(1H,3H)-Pyridinedione, 5-iodo-6-methyl-3-nitroso-
CAS Number:
88499-67-6
Molecular Formula:
C6H5IN2O3
Molecular Weight:
280.0200
IUPAC Name:
5-iodo-6-methyl-3-nitroso-1H-pyridine-2,4-dione
InChI:
InChI=1S/C6H5IN2O3/c1-2-3(7)5(10)4(9-12)6(11)8-2/h4H,1H3,(H,8,11)
InChI Key:
DTNSTLKFCZTXLL-UHFFFAOYSA-N
SMILES:
O=NC1C(=O)NC(=C(C1=O)I)C
Properties
Complexity:
297
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
279.934g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
280.021g/mol
Monoisotopic Mass:
279.934g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
75.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0
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