AG000DGE

116986-13-1 | 2-Pyridinecarbonitrile, 3-(bromomethyl)-

AG000DGE

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CAS Number	116986-13-1
Catalog Number	AG000DGE(AGN-PC-0N3F50)
Chemical Name	2-Pyridinecarbonitrile, 3-(bromomethyl)-
IUPAC Name	3-(bromomethyl)pyridine-2-carbonitrile
InChI	InChI=1S/C7H5BrN2/c8-4-6-2-1-3-10-7(6)5-9/h1-3H,4H2
InChI Key	BSSLVCQAYWTRRC-UHFFFAOYSA-N
MDL Number	MFCD09030110
Molecular Formula	C7H5BrN2
Molecular Weight	197.0320
SMILES	N#CC1=NC=CC=C1CBr
Synonyms	116986-13-1, 3-(Bromomethyl)picolinonitrile, 3-(bromomethyl)pyridine-2-carbonitrile, 3-Bromomethyl-pyridine-2-carbonitrile, 2-Pyridinecarbonitrile, 3-(bromomethyl)-, 3-(Bromomethyl);picolinonitrile, 3-Bromomethylpyridine-2-carbonitrile, 3-(bromomethyl)-2-pyridinecarbonitrile, AK113901, ACMC-20mmxx, 3-Bromomethylpicolinonitrile, SCHEMBL929481, 2-cyano-3-bromomethyl-pyridine, 2-cyano-3-(bromomethyl)pyridine, CTK4B0071, 3-(Bromomethyl)-2-cyanopyridine, DTXSID90438893, BSSLVCQAYWTRRC-UHFFFAOYSA-N, 2766AA, MFCD09030110, SBB054920, ZINC20358136, 3-BROMOMETHYL-2-CYANOPYRIDINE, AKOS006239057, CS-W006515, DS-6356, FCH2604661, MB06806, QC-6559, TRA0030854, KS-000001P2, 2-Pyridinecarbonitrile,3-(bromomethyl)-, AC-17943, AJ-77272, AN-33184, BBV-38270300, BC212521, CJ-16712, SC-33564, SY096659, AB0052091, AX8085354, DB-060940, FT-0659754, MFCD09030110 (97%), 986B131, A803696, I02-1559, J-003488, C7H5BrN2, CID10375450,

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	1.5

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	6.1
Hazard statements	H302+H312-H315-H319-H331-H335
Packing Group	Ⅲ
Precautionary statements	P261-P280-P305+P351+P338-P311
UN Code	UN 3439

Certificate of Analysis

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