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97807-27-7

97807-27-7 | 1-METHYL-3-(N-(4-IODOPHENYL)CARBAMOYL)-1,4-DIHYDROPYRIDINE

CAS No: 97807-27-7 Catalog No: AG006AWW MDL No:

Product Description

Catalog Number:
AG006AWW
Chemical Name:
1-METHYL-3-(N-(4-IODOPHENYL)CARBAMOYL)-1,4-DIHYDROPYRIDINE
CAS Number:
97807-27-7
Molecular Formula:
C13H13IN2O
Molecular Weight:
340.1596
IUPAC Name:
N-(4-iodophenyl)-1-methyl-4H-pyridine-3-carboxamide
InChI:
InChI=1S/C13H13IN2O/c1-16-8-2-3-10(9-16)13(17)15-12-6-4-11(14)5-7-12/h2,4-9H,3H2,1H3,(H,15,17)
InChI Key:
ZGFBEHFIMBCYBG-UHFFFAOYSA-N
SMILES:
CN1C=CCC(=C1)C(=O)Nc1ccc(cc1)I

Properties

Complexity:
343  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
340.007g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
340.164g/mol
Monoisotopic Mass:
340.007g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
32.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6  

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