AG001BAX

13958-98-0 | 4-Pyridinecarbonitrile, 3-bromo-

AG001BAX

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CAS Number	13958-98-0
Catalog Number	AG001BAX(AGN-PC-0NFG8G)
Chemical Name	4-Pyridinecarbonitrile, 3-bromo-
IUPAC Name	3-bromopyridine-4-carbonitrile
InChI	InChI=1S/C6H3BrN2/c7-6-4-9-2-1-5(6)3-8/h1-2,4H
InChI Key	VPDIXJCBBUZNPO-UHFFFAOYSA-N
MDL Number	MFCD00234143
Molecular Formula	C6H3BrN2
Molecular Weight	183.0054
SMILES	BrC=1C=NC=CC1C#N
Synonyms	3-Bromo-4-cyanopyridine, 13958-98-0, 3-Bromoisonicotinonitrile, 3-bromopyridine-4-carbonitrile, 4-Pyridinecarbonitrile, 3-bromo-, 3-bromo-4-pyridinecarbonitrile, MFCD00234143, 3-Bromo-4-cyanopyridine, 97%, 3-bromo-isonicotinonitrile, PubChem17105, ACMC-20a0fj, 5-bromoisonicotinonitrile, SCHEMBL526349, 3-bromo-4-cyanopyridine,95%, 4-Pyridinecarbonitrile,3-bromo-, CTK4C1873, 3-bromanylpyridine-4-carbonitrile, DTXSID20454223, VPDIXJCBBUZNPO-UHFFFAOYSA-N, ABBYPHARMA AP-30-1116, BCP25595, EBD51259, ANW-51485, BBL102302, CB-517, RW2856, SBB065312, STL556101, ZINC12359347, 3-Bromo-4-cyanopyridine, AldrichCPR, AKOS005199114, AB05148, BS-2009, CM10243, CS-W002552, QC-2727, RP24377, TRA0082599, VP13472, 3-bromoisonicotinonitrile(saltdata: free), AJ-61467, AK-23684, BC004195, BR-23684, CJ-13893, SC-34438, SY013185, AB0033483, AB1006799, ST2417522, TR-005187, 4CH-005178, AM20050808, FT-0646909, X7042, S-5345, MFCD00234143 (95+%), 958B980, A807565, I02-0768, J-512109, Z1741977527, 3-Bromopyridine-4-carbonitrile; 3-Bromoisonicotinonitrile, 4-Bromo-3-cyanopyridine, C6H3BrN2, 2-chloro-3-fluoro-1-nitrobenzene, ACN-027070, 3-Bromo-4-cyanopyridine, 95% 250mg, CID11074051, B5215,

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	1.2

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

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