AG0080X2

118791-14-3 | 6-Chloroquinoline-3-carboxylic acid

AG0080X2

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CAS Number	118791-14-3
Catalog Number	AG0080X2(AGN-PC-000T99)
Chemical Name	6-Chloroquinoline-3-carboxylic acid
IUPAC Name	6-chloroquinoline-3-carboxylic acid
InChI	InChI=1S/C10H6ClNO2/c11-8-1-2-9-6(4-8)3-7(5-12-9)10(13)14/h1-5H,(H,13,14)
InChI Key	UYQIRJWFRMCAID-UHFFFAOYSA-N
MDL Number	MFCD09787826
Molecular Formula	C10H6ClNO2
Molecular Weight	207.6131
SMILES	OC(=O)C1=CC2=C(C=CC(Cl)=C2)N=C1
Synonyms	6-CHLOROQUINOLINE-3-CARBOXYLIC ACID, 118791-14-3, 6-chloro-3-quinolinecarboxylic acid, 3-Quinolinecarboxylic acid, 6-chloro-, AK-27455, PubChem14634, ACMC-20aea1, 3-Carboxy-6-chloroquinoline, SCHEMBL2306751, CTK0H3145, KS-00000HJE, DTXSID40557846, UYQIRJWFRMCAID-UHFFFAOYSA-N, ZX-AT014055, ANW-69431, MFCD09787826, ZINC32099568, 6-chloranylquinoline-3-carboxylic acid, AKOS015850438, AB52327, CHM0116897, CS-W008667, FCH1327332, FS-3690, MP-0884, OR42243, RP26358, RTR-003197, ACM118791143, AJ-84692, SC-44669, SY046768, AB0047273, AX8159233, DB-061403, TR-003197, 4CH-008186, FT-0645758, ST24029751, Z3945, MFCD09787826 (95%), 6-Chloroquinoline-3-carboxylic acid, AldrichCPR, A804097, J-518664, I14-34281, C10H6ClNO2, 6-Chloroquinoline-3-carboxylicacid,

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	2.3

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

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