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1600094-08-3 | 2-iodo-6-methoxy-3-nitropyridine
CAS No: 1600094-08-3 Catalog No: AG00OG2G MDL No:
Product Description
Catalog Number:
AG00OG2G
Chemical Name:
2-iodo-6-methoxy-3-nitropyridine
CAS Number:
1600094-08-3
Molecular Formula:
C6H5IN2O3
Molecular Weight:
280.0200
IUPAC Name:
2-iodo-6-methoxy-3-nitropyridine
InChI:
InChI=1S/C6H5IN2O3/c1-12-5-3-2-4(9(10)11)6(7)8-5/h2-3H,1H3
InChI Key:
WBTMVYPHMGGMJK-UHFFFAOYSA-N
SMILES:
COc1ccc(c(n1)I)[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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