AG005TDW

69875-49-6 | 4-Chloroquinoline-3-carbonitrile

AG005TDW

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CAS Number	69875-49-6
Catalog Number	AG005TDW(AGN-PC-0NJ2K0)
Chemical Name	4-Chloroquinoline-3-carbonitrile
IUPAC Name	4-chloroquinoline-3-carbonitrile
InChI	InChI=1S/C10H5ClN2/c11-10-7(5-12)6-13-9-4-2-1-3-8(9)10/h1-4,6H
InChI Key	HCXMIOZRXOIQHX-UHFFFAOYSA-N
MDL Number	MFCD03093327
Molecular Formula	C10H5ClN2
Molecular Weight	188.6131
SMILES	ClC1=C(C=NC2=C1C=CC=C2)C#N
Synonyms	4-Chloroquinoline-3-carbonitrile, 69875-49-6, 4-Chloro-3-cyanoquinoline, 4-Chloro-quinoline-3-carbonitrile, 3-Quinolinecarbonitrile, 4-chloro-, SCHEMBL1346465, 4-chloro-3-quinolinecarbonitrile, CTK5D1480, DTXSID60499416, 3-Quinolinecarbonitrile,4-chloro-, 4-chloranylquinoline-3-carbonitrile, ACT10092, KS-00000O2X, ZINC2506546, 0817AC, ANW-72175, MFCD03093327, AKOS000179101, AC-7097, AN-9359, AJ-36114, AK-51634, DS-13932, SC-25363, SY003963, AB0007272, AB1001821, TC-160920, EN300-44043, X-3198, MFCD03093327 (97+%), A836678, I08-0475, null, C10H5ClN2,

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	2.5

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

Lot Number