AG0010XX

132664-45-0 | 8-Quinolinecarbonitrile, 4-chloro-

AG0010XX

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CAS Number	132664-45-0
Catalog Number	AG0010XX(AGN-PC-002KE9)
Chemical Name	8-Quinolinecarbonitrile, 4-chloro-
IUPAC Name	4-chloroquinoline-8-carbonitrile
InChI	InChI=1S/C10H5ClN2/c11-9-4-5-13-10-7(6-12)2-1-3-8(9)10/h1-5H
InChI Key	OXKQMBHOOISBLS-UHFFFAOYSA-N
MDL Number	MFCD08063206
Molecular Formula	C10H5ClN2
Molecular Weight	188.6131
SMILES	N#CC1=C2N=CC=C(Cl)C2=CC=C1
Synonyms	4-Chloroquinoline-8-carbonitrile, 132664-45-0, 4-CHLORO-8-CYANOQUINOLINE, 4-chloro-quinoline-8-carbonitrile, 8-cyano-4-chloroquinoline, SCHEMBL317372, CTK4B8030, DTXSID80564079, OXKQMBHOOISBLS-UHFFFAOYSA-N, 8-Quinolinecarbonitrile, 4-chloro-, MFCD08063206, ZINC95836433, AKOS006287639, AJ-135219, 132664-40-5, 4-Chloro-8-quinolinecarbonitrile,

Complexity	232
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	188.014g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	188.614g/mol
Monoisotopic Mass	188.014g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	36.7A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.7

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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