AG001GSA

1416439-55-8 | 3-Quinolinecarboxylic acid, 5-chloro-

AG001GSA

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CAS Number	1416439-55-8
Catalog Number	AG001GSA(AGN-PC-0JK1IM)
Chemical Name	3-Quinolinecarboxylic acid, 5-chloro-
IUPAC Name	5-chloroquinoline-3-carboxylic acid
InChI	InChI=1S/C10H6ClNO2/c11-8-2-1-3-9-7(8)4-6(5-12-9)10(13)14/h1-5H,(H,13,14)
InChI Key	FRHNBZDXRJQHBZ-UHFFFAOYSA-N
MDL Number	MFCD22690552
Molecular Formula	C10H6ClNO2
Molecular Weight	207.6131
SMILES	O=C(C1=CC2=C(Cl)C=CC=C2N=C1)O
Synonyms	5-CHLOROQUINOLINE-3-CARBOXYLIC ACID, 1416439-55-8, 5-chloroquinoline-3-carboxylicacid, MFCD22690552, ZINC91692875, AKOS025146674, 3-Quinolinecarboxylic acid, 5-chloro-, FCH2309374, AK164636, AS-41382, SC-68890, AX8271324,

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-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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