AG00C89G

37497-86-2 | METHYL 1-CHLORO-4-ISOQUINOLINECARBOXYLATE

AG00C89G

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CAS Number	37497-86-2
Catalog Number	AG00C89G(AGN-PC-0KSP5X)
Chemical Name	METHYL 1-CHLORO-4-ISOQUINOLINECARBOXYLATE
IUPAC Name	methyl 1-chloroisoquinoline-4-carboxylate
InChI	InChI=1S/C11H8ClNO2/c1-15-11(14)9-6-13-10(12)8-5-3-2-4-7(8)9/h2-6H,1H3
InChI Key	YTJDBMFLRYQTPT-UHFFFAOYSA-N
MDL Number	MFCD00140353
Molecular Formula	C11H8ClNO2
Molecular Weight	221.6397
SMILES	O=C(C1=CN=C(Cl)C2=C1C=CC=C2)OC
Synonyms	Methyl 1-chloroisoquinoline-4-carboxylate, 37497-86-2, methyl 1-chloro-4-isoquinolinecarboxylate, 1-chloro-isoquinoline-4-carboxylic acid methyl ester, AC1MO682, SCHEMBL1368161, CTK4H8310, DTXSID10391597, methylchloroisoquinolinecarboxylate, YTJDBMFLRYQTPT-UHFFFAOYSA-N, ZINC3041690, 1895AE, MFCD00140353, SBB096200, AKOS005071401, MCULE-7565588306, RP12830, KS-0000212T, AJ-44369, SC-36073, TR-015217, FT-0680709, 9B-078, I08-806, 1-Chloroisoquinoline-4-carboxylic acid methyl ester, J-521756, C11H8ClNO2, CID3338790, METHYL1-CHLORO-4-ISOQUINOLINECARBOXYLATE,

Complexity	247
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	221.024g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	221.64g/mol
Monoisotopic Mass	221.024g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	39.2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.9

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302+H312+H332-H315-H319-H335
Packing Group
Precautionary statements	P261-P280-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number