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115170-07-5 | Pyridine, 2-iodo-3-methoxy-6-nitro-
CAS No: 115170-07-5 Catalog No: AG000GDS MDL No:
Product Description
Catalog Number:
AG000GDS
Chemical Name:
Pyridine, 2-iodo-3-methoxy-6-nitro-
CAS Number:
115170-07-5
Molecular Formula:
C6H5IN2O3
Molecular Weight:
280.0200
IUPAC Name:
2-iodo-3-methoxy-6-nitropyridine
InChI:
InChI=1S/C6H5IN2O3/c1-12-4-2-3-5(9(10)11)8-6(4)7/h2-3H,1H3
InChI Key:
DUOMLXGCXDZKAB-UHFFFAOYSA-N
SMILES:
COc1ccc(nc1I)[N+](=O)[O-]
Properties
Complexity:
173
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:
0
Isotope Atom Count:
0
Molecular Weight:
280.021g/mol
Monoisotopic Mass:
279.934g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
67.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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