AG003HX5

170449-34-0 | 2-(Pyridin-2-ylsulfonyl)acetonitrile

AG003HX5

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CAS Number	170449-34-0
Catalog Number	AG003HX5(AGN-PC-0JS8TP)
Chemical Name	2-(Pyridin-2-ylsulfonyl)acetonitrile
IUPAC Name	2-pyridin-2-ylsulfonylacetonitrile
InChI	InChI=1S/C7H6N2O2S/c8-4-6-12(10,11)7-3-1-2-5-9-7/h1-3,5H,6H2
InChI Key	SAKACXZDAJXBCI-UHFFFAOYSA-N
MDL Number	MFCD00041443
Molecular Formula	C7H6N2O2S
Molecular Weight	182.1997
SMILES	N#CCS(=O)(C1=NC=CC=C1)=O
Synonyms	170449-34-0, 2-Pyridinesulfonylacetonitrile, 2-(Pyridin-2-ylsulfonyl)acetonitrile, 2-Pyridinesulphonylacetonitrile, Pyridine-2-sulfonylacetonitrile, SAKACXZDAJXBCI-UHFFFAOYSA-N, (Pyridin-2-ylsulfonyl)acetonitrile, 2-pyridin-2-ylsulfonylacetonitrile, 2-(pyridine-2-sulfonyl)acetonitrile, MFCD00041443, 2-(2-pyridylsulfonyl)ethanenitrile, AC1LAS6K, Maybridge1_004727, ACMC-1C3JT, 2-pyridinesulfonlyacetonitrile, SCHEMBL4081435, CTK0H3665, HMS554O19, KS-00003TAZ, ZINC95187, (2-Pyridinylsulfonyl)acetonitrile, DTXSID40333980, (pyrid-2-yl)sulfonly acetonitrile, (pyrid-2-yl)sulfonyl acetonitrile, (pyrid-2-yl)sulphonyl acetonitrile, 2-(2-pyridylsulphonyl)acetonitrile, (Pyridin-2-ylsulphonyl)acetonitrile, 2-(2-pyridinylsulfonyl)acetonitrile, 2-pyridin-2-ylsulfonylethanenitrile, ZX-AT025525, (2-Pyridinylsulfonyl)acetonitrile #, 5492AD, CCG-45713, FCH918468, SBB055665, AKOS006230614, Acetonitrile,2-(2-pyridinylsulfonyl)-, CS-W017114, MCULE-1146255240, VP14378, Acetonitrile, 2-(2-pyridinylsulfonyl)-, AJ-10960, TS-02540, ZB003329, RT-001217, FT-0613395, ST50407958, 2-(2-pyridylsulfonyl)acetonitrile, AldrichCPR, A811202, C-06982, SR-01000635465-1, I14-36281, C7H6N2O2S, 2-(2-pyridylsulfonyl)acetonitrile, CID519355, ZINC00095187, 17282-41-6,

Complexity	282
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	182.015g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	182.197g/mol
Monoisotopic Mass	182.015g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	79.2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302+H312+H332
Packing Group
Precautionary statements	P261-P264-P270-P271-P280-P302+P352-P304+P340-P312-P330-P363-P403-P501
UN Code

Certificate of Analysis

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