AG003N4K

450844-27-6 | 6-Bromo-5-methylpicolinonitrile

AG003N4K

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CAS Number	450844-27-6
Catalog Number	AG003N4K(AGN-PC-03HUEY)
Chemical Name	6-Bromo-5-methylpicolinonitrile
IUPAC Name	6-bromo-5-methylpyridine-2-carbonitrile
InChI	InChI=1S/C7H5BrN2/c1-5-2-3-6(4-9)10-7(5)8/h2-3H,1H3
InChI Key	DHFCAAHDNSOIAE-UHFFFAOYSA-N
MDL Number	MFCD11044272
Molecular Formula	C7H5BrN2
Molecular Weight	197.0320
SMILES	N#CC1=NC(Br)=C(C)C=C1
Synonyms	6-Bromo-5-methylpicolinonitrile, 450844-27-6, 6-bromo-5-methylpyridine-2-carbonitrile, 2-BROMO-6-CYANO-3-METHYLPYRIDINE, 2-Pyridinecarbonitrile, 6-bromo-5-methyl-, AK136985, 2-Pyridinecarbonitrile,6-bromo-5-methyl-, SCHEMBL2981097, CTK4I8619, KS-00000DWL, DTXSID80620245, DHFCAAHDNSOIAE-UHFFFAOYSA-N, 6430AJ, FCH887165, MFCD11044272, ZINC71254775, AKOS006307328, DS-5636, NE27288, TRA-0177721, 6-Bromo-5-methyl-pyridine-2-carbonitrile, ACM450844276, EN001882, SY028553, AJ-117643, AX8258553, DB-082136, FT-0741945, MFCD11044272 (95%), EN300-125534, C7H5BrN2,

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	2.3

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number