AG000RYY

1261737-95-4 | 2-(5-chloropyrimidin-4-yl)acetonitrile

AG000RYY

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CAS Number	1261737-95-4
Catalog Number	AG000RYY(AGN-PC-0WABCA)
Chemical Name	2-(5-chloropyrimidin-4-yl)acetonitrile
IUPAC Name	2-(5-chloropyrimidin-4-yl)acetonitrile
InChI	InChI=1S/C6H4ClN3/c7-5-3-9-4-10-6(5)1-2-8/h3-4H,1H2
InChI Key	HSXNXCMGGODPSW-UHFFFAOYSA-N
MDL Number	MFCD18415907
Molecular Formula	C6H4ClN3
Molecular Weight	153.5691
SMILES	N#CCC1=NC=NC=C1Cl
Synonyms	1261737-95-4, 2-(5-chloropyrimidin-4-yl)acetonitrile, 5-CHLOROPYRIMIDINE-4-ACETONITRILE, 5-ChloropyriMinde-4-Acetonitrile, DTXSID00856524, KS-000000TP, 4-Pyrimidineacetonitrile, 5-chloro-, MFCD18415907, ZINC95082654, (5-Chloropyrimidin-4-yl)acetonitrile, AKOS022173462, DS-7322, LS21210, AK141801, AJ-132101,

Complexity	150
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	153.009g/mol
Formal Charge	0
Heavy Atom Count	10
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	153.569g/mol
Monoisotopic Mass	153.009g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	49.6A^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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