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1190320-12-7 | 2(1H)-Pyridinone, 3-iodo-4-methyl-5-nitro-
CAS No: 1190320-12-7 Catalog No: AG000HX1 MDL No:
Product Description
Catalog Number:
AG000HX1
Chemical Name:
2(1H)-Pyridinone, 3-iodo-4-methyl-5-nitro-
CAS Number:
1190320-12-7
Molecular Formula:
C6H5IN2O3
Molecular Weight:
280.0200
IUPAC Name:
3-iodo-4-methyl-5-nitro-1H-pyridin-2-one
InChI:
InChI=1S/C6H5IN2O3/c1-3-4(9(11)12)2-8-6(10)5(3)7/h2H,1H3,(H,8,10)
InChI Key:
ZRNUMGXPIFAEIU-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1c[nH]c(=O)c(c1C)I
Properties
Complexity:
313
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:
3
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:
74.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
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