AG003J09

55758-02-6 | 3-Bromopicolinonitrile

AG003J09

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CAS Number	55758-02-6
Catalog Number	AG003J09(AGN-PC-0JWI7E)
Chemical Name	3-Bromopicolinonitrile
IUPAC Name	3-bromopyridine-2-carbonitrile
InChI	InChI=1S/C6H3BrN2/c7-5-2-1-3-9-6(5)4-8/h1-3H
InChI Key	HCOPIUVJCIZALB-UHFFFAOYSA-N
MDL Number	MFCD02683288
Molecular Formula	C6H3BrN2
Molecular Weight	183.0054
SMILES	C1=CC=NC(=C1Br)C#N
Synonyms	3-Bromo-2-cyanopyridine, 55758-02-6, 3-bromopicolinonitrile, 3-bromopyridine-2-carbonitrile, 2-cyano-3-bromopyridine, 3-Bromo-pyridine-2-carbonitrile, 3-bromo-2-pyridinecarbonitrile, 2-Pyridinecarbonitrile, 3-bromo-, MFCD02683288, 3-Bromopyridine-2-carbonitrile, 97%, PubChem2263, 3-bromopicolino-nitrile, Bromo-2-cyano-pyridine, AC1LG9PI, 3-bromo-2-cyano-pyridine, ACMC-209lp5, 3-Bromo-pyridin-2-nitrile, AC1Q26FS, KSC494A9F, SCHEMBL391339, EBD861, CTK3J4092, HCOPIUVJCIZALB-UHFFFAOYSA-, KS-00000EDL, 3-bromanylpyridine-2-carbonitrile, DTXSID70355837, HCOPIUVJCIZALB-UHFFFAOYSA-N, ZINC331841, ACN-S003167, ACT04522, ANW-32391, BBL100455, CL0159, SBB065323, STL554249, WT2265, AKOS005145804, AC-1874, CS-W002967, FS-2428, LS20446, PB24769, RP03294, RTC-010331, TRA0052470, 55758-02-6 3-Bromo-2-cyanopyridine, AJ-19477, AK-32446, AN-14542, BC002266, BC222456, BP-10221, BR-32446, CJ-02818, SC-05334, SY003790, ZB010609, AB0025496, AB1001741, DB-013384, ST2410588, TC-010331, 4CH-010457, A8051, AM20070188, B4382, C2843, FT-0083009, FT-0650468, W6971, A-6526, MFCD02683288 (97+%), 758B026, A814714, AC-907/34104040, I02-0784, I02-1610, W-203110, InChI=1/C6H3BrN2/c7-5-2-1-3-9-6(5)4-8/h1-3H, C6H3BrN2, AR-1F2335, CID817694, ZINC00331841, ACN-036353, 3-Bromo-2-cyanopyridine, 98% - 1G 1g, 20577-26-8, 56220-51-0,

Complexity	137
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	181.948g/mol
Formal Charge	0
Heavy Atom Count	9
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	183.008g/mol
Monoisotopic Mass	181.948g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	36.7A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.6

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	6.1
Hazard statements	H317-H319
Packing Group	Ⅲ
Precautionary statements	P280-P305+P351+P338
UN Code	UN 2811

Certificate of Analysis

Lot Number