AG000L5K

123846-66-2 | 2-Pyridineacetonitrile, 5-nitro-

AG000L5K

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CAS Number	123846-66-2
Catalog Number	AG000L5K(AGN-PC-00JPM5)
Chemical Name	2-Pyridineacetonitrile, 5-nitro-
IUPAC Name	2-(5-nitropyridin-2-yl)acetonitrile
InChI	InChI=1S/C7H5N3O2/c8-4-3-6-1-2-7(5-9-6)10(11)12/h1-2,5H,3H2
InChI Key	PHCKNSBYAFTJKZ-UHFFFAOYSA-N
MDL Number	MFCD09033814
Molecular Formula	C7H5N3O2
Molecular Weight	163.1335
SMILES	N#CCC1=NC=C([N+]([O-])=O)C=C1
Synonyms	123846-66-2, 5-NITRO-2-PYRIDINEACETONITRILE, 2-(5-NITROPYRIDIN-2-YL)ACETONITRILE, 2-(5-NITRO-2-PYRIDINYL)ACETONITRILE, 2-Pyridineacetonitrile, 5-nitro-, (5-NITROPYRIDIN-2-YL)ACETONITRILE, ACMC-1BXOW, SCHEMBL359255, 2-Pyridineacetonitrile,5-nitro-, CTK4B3654, DTXSID60475851, PHCKNSBYAFTJKZ-UHFFFAOYSA-N, 2-(5-nitro-2-pyridyl)acetonitrile, ANW-18166, MFCD09033814, ZINC35567238, (5-Nitro-pyridin-2-yl)-acetonitrile, 2-CYANOMETHYL-5-NITROPYRIDINE, AKOS005259488, AB49407, RP22591, RTX-010796, TRA0002004, AJ-91426, AN-32734, AS-40106, CJ-18754, SC-25393, SY011019, AB0035271, DB-062189, ST2406333, AM20050726, FT-0688588, X9572, MFCD09033814 (95%), A21566, B-2437, 846N662, J-517871, I14-42504, C7H5N3O2, ACN-031652,

Complexity	214
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	163.038g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	163.136g/mol
Monoisotopic Mass	163.038g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	82.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.3

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

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