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64560-12-9 | 2-Pyridinecarboxamide, N-(2-chlorophenyl)-6-methyl-, 1-oxide
CAS No: 64560-12-9 Catalog No: AG00H5R4 MDL No:
Product Description
Catalog Number:
AG00H5R4
Chemical Name:
2-Pyridinecarboxamide, N-(2-chlorophenyl)-6-methyl-, 1-oxide
CAS Number:
64560-12-9
Molecular Formula:
C13H11ClN2O2
Molecular Weight:
262.6916
IUPAC Name:
N-(2-chlorophenyl)-6-methyl-1-oxidopyridin-1-ium-2-carboxamide
InChI:
InChI=1S/C13H11ClN2O2/c1-9-5-4-8-12(16(9)18)13(17)15-11-7-3-2-6-10(11)14/h2-8H,1H3,(H,15,17)
InChI Key:
OFFFGJOLYPOQRH-UHFFFAOYSA-N
SMILES:
Clc1ccccc1NC(=O)c1cccc([n+]1[O-])C
Properties
Complexity:
301
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
262.051g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
262.693g/mol
Monoisotopic Mass:
262.051g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
54.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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