AG005LOA

68236-23-7 | 2-Chloro-6,7-dimethoxyquinoline-3-carbaldehyde

AG005LOA

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CAS Number	68236-23-7
Catalog Number	AG005LOA(AGN-PC-0JWIP1)
Chemical Name	2-Chloro-6,7-dimethoxyquinoline-3-carbaldehyde
IUPAC Name	2-chloro-6,7-dimethoxyquinoline-3-carbaldehyde
InChI	InChI=1S/C12H10ClNO3/c1-16-10-4-7-3-8(6-15)12(13)14-9(7)5-11(10)17-2/h3-6H,1-2H3
InChI Key	CCJKLPYJNAHFIE-UHFFFAOYSA-N
MDL Number	MFCD02049246
Molecular Formula	C12H10ClNO3
Molecular Weight	251.6657
SMILES	O=CC1=CC2=CC(OC)=C(OC)C=C2N=C1Cl
Synonyms	2-chloro-6,7-dimethoxy-3-quinolinecarboxaldehyde, CDQCA, 2-chloro-6,7-dimethoxyquinoline-3-carbaldehyde, 68236-23-7, 2-Chloro-6,7-dimethoxy-quinoline-3-carbaldehyde, 2-chloro-6,7-dimethoxy-3-quinolinecarbaldehyde, 2-chloro-6,7-dimethoxy-3-quinolinecarboxaldehyde, AG-690/15443853, 3-Quinolinecarboxaldehyde, 2-chloro-6,7-dimethoxy-, AC1LGBO0, AC1Q6Q5B, Oprea1_197761, Oprea1_832501, SCHEMBL9245838, CTK1J2379, DTXSID80355964, CCJKLPYJNAHFIE-UHFFFAOYSA-N, ZINC333655, ALBB-020803, ZX-AN036450, ZX-CM017227, 0518AC, MFCD02049246, SBB081911, AKOS000264775, MCULE-3527266574, AJ-19610, AS-36488, BAS 01520557, AX8246095, AZ0001-0358, W-8986, A836162, SR-01000313399, 2-chloranyl-6,7-dimethoxy-quinoline-3-carbaldehyde, SR-01000313399-1, 7114007-25G, 7114007-50G, 2-Chloro-6,7-dimethoxy-3-quinolinecarbaldehyde, AldrichCPR, 7114007-100G, C12H10ClNO3, AR-1E0346, CID818619, ZINC00333655, 6850-23-3,

Complexity	277
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	251.035g/mol
Formal Charge	0
Heavy Atom Count	17
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	251.666g/mol
Monoisotopic Mass	251.035g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	48.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.6

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319-H335
Packing Group
Precautionary statements	P233-P260-P261-P264-P271-P280-P302+P352-P304-P304+P340-P305+P351+P338-P312-P321-P332+P313-P337+P313-P340-P362-P403-P403+P233-P405-P501
UN Code

Certificate of Analysis

Lot Number