AG0001SO

1003711-39-4 | 3-Pyridinecarbonitrile, 6-bromo-2-methyl-

AG0001SO

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CAS Number	1003711-39-4
Catalog Number	AG0001SO(AGN-PC-0WA692)
Chemical Name	3-Pyridinecarbonitrile, 6-bromo-2-methyl-
IUPAC Name	6-bromo-2-methylpyridine-3-carbonitrile
InChI	InChI=1S/C7H5BrN2/c1-5-6(4-9)2-3-7(8)10-5/h2-3H,1H3
InChI Key	VXLPCDPMLFDENY-UHFFFAOYSA-N
MDL Number	MFCD09839266
Molecular Formula	C7H5BrN2
Molecular Weight	197.0320
SMILES	N#CC1=C(C)N=C(Br)C=C1
Synonyms	2-Bromo-5-cyano-6-picoline, 6-Bromo-2-methylnicotinonitrile, 1003711-39-4, 2-BROMO-5-CYANO-6-METHYLPYRIDINE, 6-bromo-2-methylpyridine-3-carbonitrile, AK-91301, 6-BROMO-3-CYANO-2-METHYLPYRIDINE, PubChem5962, SCHEMBL1403877, CTK6C3969, DTXSID60652049, ANW-53587, FCH874568, MFCD09839266, ZINC21981904, AKOS006326458, AM62474, LS20364, 6-bromo-2-methyl-3-pyridinecarbonitrile, AJ-78956, BBV-38311281, BC003061, DS-17422, 3-Pyridinecarbonitrile, 6-bromo-2-methyl-, AX8229718, DB-058403, TC-142332, CS-0040482, FT-0728740, ST24024275, Z6266, B-6219, I02-2848, J-508356, C7H5BrN2, ACN-056281,

Complexity	160
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	195.964g/mol
Formal Charge	0
Heavy Atom Count	10
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	197.035g/mol
Monoisotopic Mass	195.964g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	36.7A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	6.1
Hazard statements	H302-H315-H319-H335
Packing Group	Ⅲ
Precautionary statements	P261-P305+P351+P338
UN Code	UN 2811

Certificate of Analysis

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