AG002BHQ

19840-46-1 | 3-Pyridinecarbonitrile, 5-chloro-1,6-dihydro-6-oxo-

AG002BHQ

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CAS Number	19840-46-1
Catalog Number	AG002BHQ(AGN-PC-0QPTTL)
Chemical Name	3-Pyridinecarbonitrile, 5-chloro-1,6-dihydro-6-oxo-
IUPAC Name	5-chloro-6-oxo-1H-pyridine-3-carbonitrile
InChI	InChI=1S/C6H3ClN2O/c7-5-1-4(2-8)3-9-6(5)10/h1,3H,(H,9,10)
InChI Key	QIZPRLXDVKDBRQ-UHFFFAOYSA-N
MDL Number	MFCD11100240
Molecular Formula	C6H3ClN2O
Molecular Weight	154.5538
SMILES	N#CC1=CN=C(O)C(Cl)=C1
Synonyms	5-chloro-6-hydroxynicotinonitrile, 19840-46-1, 5-chloro-6-oxo-1,6-dihydropyridine-3-carbonitrile, 5-chloro-6-hydroxypyridine-3-carbonitrile, 5-Chloro-1,6-dihydro-6-oxo-3-pyridinecarbonitrile, 5-chloro-6-oxo-1H-pyridine-3-carbonitrile, CTK4E2514, DTXSID30652733, KS-000025FQ, ZX-RL003033, ANW-56689, FCH888147, MFCD11100240, SBB087037, ZINC22995856, AKOS005072505, GC-0740, MCULE-7430578258, RP10109, ACM19840461, AC-25159, AJ-81562, AK-68350, OR303815, AX8107280, DB-065967, TR-009214, FT-0681072, X3336, 840C461, A813986, J-517375, 3-Pyridinecarbonitrile,5-chloro-1,6-dihydro-6-oxo-, I14-28437, 5-chloranyl-6-oxidanylidene-1H-pyridine-3-carbonitrile, C6H3ClN2O, N/A,

Complexity	281
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	153.993g/mol
Formal Charge	0
Heavy Atom Count	10
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	154.553g/mol
Monoisotopic Mass	153.993g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	52.9A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.5

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H312-H332
Packing Group
Precautionary statements	P280
UN Code

Certificate of Analysis

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