AG000M8L

1245643-02-0 | 5-Isoquinolinecarboxylic acid, 1-chloro-6-methyl-

AG000M8L

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CAS Number	1245643-02-0
Catalog Number	AG000M8L(AGN-PC-0WA4IL)
Chemical Name	5-Isoquinolinecarboxylic acid, 1-chloro-6-methyl-
IUPAC Name	1-chloro-6-methylisoquinoline-5-carboxylic acid
InChI	InChI=1S/C11H8ClNO2/c1-6-2-3-8-7(9(6)11(14)15)4-5-13-10(8)12/h2-5H,1H3,(H,14,15)
InChI Key	DKAFNWYTPLCECP-UHFFFAOYSA-N
MDL Number	MFCD17014895
Molecular Formula	C11H8ClNO2
Molecular Weight	221.6397
SMILES	CC1=C(C(O)=O)C2=C(C=C1)C(Cl)=NC=C2
Synonyms	1-chloro-6-methylisoquinoline-5-carboxylic acid, 1245643-02-0, 1-Chloro-6-methyl-isoquinoline-5-carboxylic acid, CTK8C2858, DTXSID10676730, 4612AA, ANW-69151, MFCD17014895, ZINC64033966, AKOS015842219, AS-39926, AJ-114700, AX8161702, TC-069583, TC-157896, FT-0766204, 5-Isoquinolinecarboxylic acid, 1-chloro-6-methyl-, I08-0374, S14-1983, C11H8ClNO2, ACN-038847, 1-Chloro-6-methylisoquinoline-5-carboxylicacid,

Complexity	259
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	1
Isotope Atom Count	0
Molecular Weight	221.64g/mol
Monoisotopic Mass	221.024g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	50.2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	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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