AG0037FO

59566-45-9 | 2-Pyrimidinylacetonitrile

AG0037FO

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CAS Number	59566-45-9
Catalog Number	AG0037FO(AGN-PC-00ONWP)
Chemical Name	2-Pyrimidinylacetonitrile
IUPAC Name	2-pyrimidin-2-ylacetonitrile
InChI	InChI=1S/C6H5N3/c7-3-2-6-8-4-1-5-9-6/h1,4-5H,2H2
InChI Key	LNWCUVURNLRARG-UHFFFAOYSA-N
MDL Number	MFCD09759105
Molecular Formula	C6H5N3
Molecular Weight	119.1240
SMILES	N1=C(N=CC=C1)CC#N
Synonyms	2-(Pyrimidin-2-yl)acetonitrile, 59566-45-9, 2-pyrimidineacetonitrile, Pyrimidin-2-ylacetonitrile, 2-pyrimidinylacetonitrile, pyrimidin-2-yl-acetonitrile, 2-(2-pyrimidyl)acetonitrile, 2-Pyrimidineacetonitrile (9CI), pyrimidinyl acetonitrile, SCHEMBL78004, (Pyrimidin-2-yl)acetonitrile, 2-pyrimidin-2-ylacetonitrile, CTK5B0139, DTXSID20570679, LNWCUVURNLRARG-UHFFFAOYSA-N, KS-000002WQ, 8863AB, ANW-57330, MFCD09759105, ZINC31829581, AKOS009159170, PB12692, AJ-84406, AS-33436, SC-34690, AB0179528, RT-024975, ST1140997, CS-0052209, FT-0742573, Q-2460, J-000019, C6H5N3, 1000564-45-3,

Complexity	118
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	119.048g/mol
Formal Charge	0
Heavy Atom Count	9
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	119.127g/mol
Monoisotopic Mass	119.048g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	49.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	-0.1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	6.1
Hazard statements	H302+H312-H331
Packing Group	Ⅲ
Precautionary statements	P261-P302+P352
UN Code	UN 3439

Certificate of Analysis

Lot Number