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908279-57-2 | 3-IODO-2-METHOXYISONICOTINONITRILE
CAS No: 908279-57-2 Catalog No: AG00H37Q MDL No:MFCD09056806
Product Description
Catalog Number:
AG00H37Q
Chemical Name:
3-IODO-2-METHOXYISONICOTINONITRILE
CAS Number:
908279-57-2
Molecular Formula:
C7H5IN2O
Molecular Weight:
260.0319
MDL Number:
MFCD09056806
IUPAC Name:
3-iodo-2-methoxypyridine-4-carbonitrile
InChI:
InChI=1S/C7H5IN2O/c1-11-7-6(8)5(4-9)2-3-10-7/h2-3H,1H3
InChI Key:
NKOLCZUNZRIELF-UHFFFAOYSA-N
SMILES:
COc1nccc(c1I)C#N
Properties
Complexity:
177
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
259.945g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
260.034g/mol
Monoisotopic Mass:
259.945g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
45.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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