AG002DEE

201420-30-6 | 3-Quinolinecarboxaldehyde, 4-chloro-

AG002DEE

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CAS Number	201420-30-6
Catalog Number	AG002DEE(AGN-PC-0K5S24)
Chemical Name	3-Quinolinecarboxaldehyde, 4-chloro-
IUPAC Name	4-chloroquinoline-3-carbaldehyde
InChI	InChI=1S/C10H6ClNO/c11-10-7(6-13)5-12-9-4-2-1-3-8(9)10/h1-6H
InChI Key	PTCAOHUEDACTEB-UHFFFAOYSA-N
MDL Number	MFCD03787717
Molecular Formula	C10H6ClNO
Molecular Weight	191.6137
SMILES	O=CC1=C(Cl)C2=CC=CC=C2N=C1
Synonyms	4-chloroquinoline-3-carbaldehyde, 201420-30-6, 4-chloro-3-quinolinecarbaldehyde, 4-chloro-3-Quinolinecarboxaldehyde, AC1LRV9J, SCHEMBL843955, DTXSID90363136, PTCAOHUEDACTEB-UHFFFAOYSA-N, KS-00001X1V, ZINC1390548, 0333AB, FCH831859, 3-Quinolinecarboxaldehyde, 4-chloro-, AKOS005093250, MCULE-2372050479, ACM201420306, AJ-25500, AX8166898, DB-066068, FT-0703506, 4W-0344, C10H6ClNO, 4-Chloroquinoline-3-carboxaldehyde, ZINC01390548, CID1478030,

Complexity	197
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	191.014g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	191.614g/mol
Monoisotopic Mass	191.014g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	30A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.3

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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