AG0001SP

1003711-35-0 | 3-Pyridinecarbonitrile, 6-bromo-4-methyl-

AG0001SP

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CAS Number	1003711-35-0
Catalog Number	AG0001SP(AGN-PC-05IUB0)
Chemical Name	3-Pyridinecarbonitrile, 6-bromo-4-methyl-
IUPAC Name	6-bromo-4-methylpyridine-3-carbonitrile
InChI	InChI=1S/C7H5BrN2/c1-5-2-7(8)10-4-6(5)3-9/h2,4H,1H3
InChI Key	DHUDYHHQMIRPHS-UHFFFAOYSA-N
MDL Number	MFCD09839265
Molecular Formula	C7H5BrN2
Molecular Weight	197.0320
SMILES	CC1=CC(Br)=NC=C1C#N
Synonyms	2-Bromo-5-cyano-4-picoline, 1003711-35-0, 2-Bromo-5-cyano-4-methylpyridine, 6-bromo-4-methylpyridine-3-carbonitrile, 6-BROMO-4-METHYL-NICOTINONITRILE, AK-91300, 5-CYANO-2-BROMO-4-METHYLPYRIDINE, PubChem5961, SCHEMBL3826142, 6-broMo-4-Methylnicotinonitrile, CTK6B4274, DTXSID00652048, ABBYPHARMA AP-30-8864, FCH874567, MFCD09839265, ZINC21981903, AKOS006326457, AM62472, CS-W020375, LS20365, AJ-78955, BC003060, DS-17421, SC-93521, 3-Pyridinecarbonitrile, 6-bromo-4-methyl-, AX8229717, DB-058402, ST2404225, 4CH-002684, FT-0696125, Z6265, B-6218, 6-BROMO-4-METHYL-3-PYRIDINECARBONITRILE, I02-2847, C7H5BrN2, ACN-041137,

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

Certificate of Analysis

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