AG001QDS

158626-15-4 | 3-Pyridinecarbonitrile, 6-(bromomethyl)-

AG001QDS

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CAS Number	158626-15-4
Catalog Number	AG001QDS(AGN-PC-0WABVG)
Chemical Name	3-Pyridinecarbonitrile, 6-(bromomethyl)-
IUPAC Name	6-(bromomethyl)pyridine-3-carbonitrile
InChI	InChI=1S/C7H5BrN2/c8-3-7-2-1-6(4-9)5-10-7/h1-2,5H,3H2
InChI Key	QWCGOMIAXFNYIV-UHFFFAOYSA-N
MDL Number	MFCD11227190
Molecular Formula	C7H5BrN2
Molecular Weight	197.0320
SMILES	BrCC1=CC=C(C=N1)C#N
Synonyms	6-(Bromomethyl)nicotinonitrile, 158626-15-4, 6-Bromomethyl-nicotinonitrile, 6-(bromomethyl)pyridine-3-carbonitrile, 2-(BROMOMETHYL)-5-CYANOPYRIDINE, 6-Bromomethylnicotinonitrile, AK-90814, ACMC-20a32g, 2-bromomethyl-5-cyanopyridine, SCHEMBL507552, CTK4C9765, DTXSID80620240, QWCGOMIAXFNYIV-UHFFFAOYSA-N, ANW-54902, MFCD11227190, SBB092098, ZINC43224394, 6-Bromomethyl-pyridine-3-carbonitrile, AKOS006323726, 2-(Bromomethyl)pyridine-5-carbonitrile, FCH2144160, MP-1363, SB21399, 3-Pyridinecarbonitrile, 6-(bromomethyl)-, DS-17125, OR345474, AB0002003, AJ-108569, AX8227372, TR-071882, TX-016070, FT-0682748, ST24024222, Z4225, EN300-117731, I14-26332, C7H5BrN2,

Complexity	149
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	1
Topological Polar Surface Area	36.7A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.2

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