AG0078MN

386704-05-8 | 2-Chloro-6-(trifluoromethyl)nicotinamide

AG0078MN

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CAS Number	386704-05-8
Catalog Number	AG0078MN(AGN-PC-0KKYW0)
Chemical Name	2-Chloro-6-(trifluoromethyl)nicotinamide
IUPAC Name	2-chloro-6-(trifluoromethyl)pyridine-3-carboxamide
InChI	InChI=1S/C7H4ClF3N2O/c8-5-3(6(12)14)1-2-4(13-5)7(9,10)11/h1-2H,(H2,12,14)
InChI Key	JBTBDGVGPLLRLS-UHFFFAOYSA-N
MDL Number	MFCD01862659
Molecular Formula	C7H4ClF3N2O
Molecular Weight	224.5677
SMILES	ClC1=C(C(=O)N)C=CC(=N1)C(F)(F)F
Synonyms	2-Chloro-6-(trifluoromethyl)nicotinamide, 386704-05-8, 2-chloro-6-(trifluoromethyl)pyridine-3-carboxamide, 3-Pyridinecarboxamide, 2-chloro-6-(trifluoromethyl)-, AC1MCTAM, PubChem19475, SCHEMBL3453722, CTK4I0294, KS-00003QVP, DTXSID20380932, ZINC154426, 2208AE, MFCD01862659, SBB096716, AKOS005145608, ACN-045320, PS-6739, RTR-039930, AJ-13227, AK126157, ZB005780, AB1001181, TR-039930, CS-0041960, 2-Chloro-6-(trifluoromethyl)nicotinamide 98%, C-6328, 3-Pyridinecarboxamide,2-chloro-6-(trifluoromethyl)-, 2-Chloro-6-(trifluoromethyl)nicotinamide, AldrichCPR, null, C7H4ClF3N2O, 2-CHLORO-6- NICOTINAMIDE, ZINC00154426, CID2778438,

Complexity	234
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	223.996g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	224.567g/mol
Monoisotopic Mass	223.996g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	56A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.6

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H332-H335
Packing Group
Precautionary statements	P261-P280-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number