AG00DEM5

54189-82-1 | 6-CHLORO-N-METHYL-NICOTINAMIDE

AG00DEM5

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CAS Number	54189-82-1
Catalog Number	AG00DEM5(AGN-PC-0NIRF8)
Chemical Name	6-CHLORO-N-METHYL-NICOTINAMIDE
EC Number	611-107-2
IUPAC Name	6-chloro-N-methylpyridine-3-carboxamide
InChI	InChI=1S/C7H7ClN2O/c1-9-7(11)5-2-3-6(8)10-4-5/h2-4H,1H3,(H,9,11)
InChI Key	DEYOMDZKXMQLCF-UHFFFAOYSA-N
MDL Number	MFCD08460991
Molecular Formula	C7H7ClN2O
Molecular Weight	170.5963
SMILES	O=C(NC)C1=CN=C(Cl)C=C1
Synonyms	6-chloro-N-methylnicotinamide, 54189-82-1, 6-Chloro-N-methyl-nicotinamide, 6-chloro-N-methylpyridine-3-carboxamide, AC1Q40LN, SCHEMBL103123, CTK4J9941, DTXSID30494337, DEYOMDZKXMQLCF-UHFFFAOYSA-N, KS-00000FF3, 5281AE, MFCD08460991, ZINC12926590, 6-chloro-nicotinic acid N-methylamide, AKOS000200516, AS-8415, CS-W006347, MCULE-3419180115, 6-chloro-N-methyl-3-pyridinecarboxamide, 2-Chloro-5-(methylaminocarbonyl)pyridine, N-Methyl-6-chloropyridine-3-carboxamide, 3-Pyridinecarboxamide,6-chloro-N-methyl-, AJ-63086, AK-41767, 3-Pyridinecarboxamide, 6-chloro-N-methyl-, ST2406470, 4CH-017672, EN300-29384, C7H7ClN2O, ACN-036008,

Complexity	151
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	170.025g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	170.596g/mol
Monoisotopic Mass	170.025g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	42A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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