AG003A7P

223671-71-4 | 1-Chloroisoquinoline-5-Carboxylic Acid Hydrochloride

AG003A7P

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CAS Number	223671-71-4
Catalog Number	AG003A7P(AGN-PC-0WA4IQ)
Chemical Name	1-Chloroisoquinoline-5-Carboxylic Acid Hydrochloride
IUPAC Name	1-chloroisoquinoline-5-carboxylic acid;hydrochloride
InChI	InChI=1S/C10H6ClNO2.ClH/c11-9-7-2-1-3-8(10(13)14)6(7)4-5-12-9;/h1-5H,(H,13,14);1H
InChI Key	APVMHUHJACMXQC-UHFFFAOYSA-N
MDL Number	MFCD13151993
Molecular Formula	C10H7Cl2NO2
Molecular Weight	244.0741
SMILES	Cl.OC(=O)c1cccc2c(Cl)nccc12
Synonyms	1-CHLOROISOQUINOLINE-5-CARBOXYLIC ACID HYDROCHLORIDE, 223671-54-3, 223671-71-4, PubChem15533, SCHEMBL7001794, DTXSID80611279, APVMHUHJACMXQC-UHFFFAOYSA-N, AKOS015846089, QC-8230, ACM223671543, AN-29454, 1-Chloroisoquinoline-5-carboxylic acid HCl, AB0097172, AX8158244, TR-010538, 5-carboxy-1-chloroisoquinoline hydrochloride, FT-0646034, 1-Chloroisoquinoline-5-carboxylicacidhydrochloride, A816161, 1-chloro-5-isoquinolinecarboxylic acid hydrochloride, 1-chloranylisoquinoline-5-carboxylic acid hydrochloride, 1-Chloroisoquinoline-5-carboxylic acid--hydrogen chloride (1/1),

Complexity	234
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	242.985g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	244.071g/mol
Monoisotopic Mass	242.985g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	50.2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

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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