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319428-83-6 | N-(4-IODO-2-METHYLPHENYL)NICOTINAMIDE
CAS No: 319428-83-6 Catalog No: AG007I4H MDL No:MFCD00783702
Product Description
Catalog Number:
AG007I4H
Chemical Name:
N-(4-IODO-2-METHYLPHENYL)NICOTINAMIDE
CAS Number:
319428-83-6
Molecular Formula:
C13H11IN2O
Molecular Weight:
338.1437
MDL Number:
MFCD00783702
IUPAC Name:
N-(4-iodo-2-methylphenyl)pyridine-3-carboxamide
InChI:
InChI=1S/C13H11IN2O/c1-9-7-11(14)4-5-12(9)16-13(17)10-3-2-6-15-8-10/h2-8H,1H3,(H,16,17)
InChI Key:
GJIODWMWVXVWQE-UHFFFAOYSA-N
SMILES:
Ic1ccc(c(c1)C)NC(=O)c1cccnc1
Properties
Complexity:
272
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
337.992g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
338.148g/mol
Monoisotopic Mass:
337.992g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
42A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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