AG000OCL

1256787-42-4 | 6-Isoquinolinecarboxylic acid, 1-chloro-

AG000OCL

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CAS Number	1256787-42-4
Catalog Number	AG000OCL(AGN-PC-09RO7Y)
Chemical Name	6-Isoquinolinecarboxylic acid, 1-chloro-
IUPAC Name	1-chloroisoquinoline-6-carboxylic acid
InChI	InChI=1S/C10H6ClNO2/c11-9-8-2-1-7(10(13)14)5-6(8)3-4-12-9/h1-5H,(H,13,14)
InChI Key	VUYRQFWSJKHQLA-UHFFFAOYSA-N
MDL Number	MFCD15526626
Molecular Formula	C10H6ClNO2
Molecular Weight	207.6131
SMILES	O=C(C1=CC2=C(C(Cl)=NC=C2)C=C1)O
Synonyms	1-CHLOROISOQUINOLINE-6-CARBOXYLIC ACID, 1256787-42-4, SCHEMBL15518782, CTK8B6658, DTXSID10695163, ZX-AT001571, 4829AA, ANW-53915, MFCD15526626, ZINC81990530, AB70670, FCH1390929, QC-8226, AS-42951, OR300061, SC-34868, AB0091720, AJ-124038, AX8210407, TC-142660, 1-CHLORO-6-ISOQUINOLINECARBOXYLIC ACID, C-0349, 6-ISOQUINOLINECARBOXYLIC ACID, 1-CHLORO-, C10H6ClNO2, 6-Carboxy-1-chloroisoquinoline, 1-chloroisoquinoline-6-carboxylic acid, 95% - 1G 1g,

Complexity	234
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	207.009g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	207.613g/mol
Monoisotopic Mass	207.009g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	50.2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.6

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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