AG003QE1

73987-37-8 | ETHYL 8-CHLORO-4-HYDROXYQUINOLINE-3-CARBOXYLATE

AG003QE1

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CAS Number	73987-37-8
Catalog Number	AG003QE1(AGN-PC-0OHDE1)
Chemical Name	ETHYL 8-CHLORO-4-HYDROXYQUINOLINE-3-CARBOXYLATE
IUPAC Name	ethyl 8-chloro-4-oxo-1H-quinoline-3-carboxylate
InChI	InChI=1S/C12H10ClNO3/c1-2-17-12(16)8-6-14-10-7(11(8)15)4-3-5-9(10)13/h3-6H,2H2,1H3,(H,14,15)
InChI Key	CVTZGJPEFPRNNB-UHFFFAOYSA-N
MDL Number	MFCD00024002
Molecular Formula	C12H10ClNO3
Molecular Weight	251.6657
NSC Number	102517
SMILES	O=C(C1=C(O)C2=CC=CC(Cl)=C2N=C1)OCC
Synonyms	ethyl 8-chloro-4-hydroxyquinoline-3-carboxylate, 73987-37-8, Ethyl 8-chloro-4-hydroxy-3-quinolinecarboxylate, NSC 102517, 8-CHLORO-4-HYDROXY-QUINOLINE-3-CARBOXYLIC ACID ETHYL ESTER, BRN 0219639, 3-Quinolinecarboxylic acid, 8-chloro-4-hydroxy-, ethyl ester, 8-Chloro-4-oxo-1,4-dihydro-quinoline-3-carboxylic acid ethyl ester, 52980-27-5, 8-CHLORO-4-HYDROXYQUINOLINE-3-CARBOXYLIC ACID ETHYL ESTER, ethyl 8-chloro-4-oxo-1H-quinoline-3-carboxylate, 156565-09-2, NSC102517, ACMC-1BC4C, AC1L3XY3, Oprea1_240960, Oprea1_276608, Oprea1_549985, 4-22-00-02266 (Beilstein Handbook Reference), AC1Q3P67, ETHYL8-CHLORO-4-HYDROXYQUINOLINE-3-CARBOXYLATE, SCHEMBL4152010, SCHEMBL16341803, CTK6F7183, KS-00001XIU, 4-Hydroxy-8-chloroquinoline-3-carboxylic acid ethyl ester, DTXSID00224769, CVTZGJPEFPRNNB-UHFFFAOYSA-N, ACT10551, ZINC8887939, WLN: T66 BNJ DVO2 EQ JG, ANW-36425, BBL027897, MFCD00024002, SBB018765, STK787821, AKOS002262793, AKOS002317563, AB01400, MCULE-5263019541, NSC-102517, AJ-59312, CJ-13592, DB-055826, LS-141499, ST2407002, ST4145674, TR-023946, BB 0222255, EU-0070784, FT-0641500, V7559, 5J-030, B-5584, 987C378, J-650302, ethyl 4-oxo-8-chloro-1,4-dihydroquinoline-3-carboxylate, ethyl 8-chloro-4-oxo-1,4-dihydro-3-quinolinecarboxylate, F3349-0209, 8-Chloro-4-hydroxy-quinoline-3-carboxylic acid ethyl ester, 8-CHLORO-4-HYDROXY-3-QUINOLINECARBOXYLIC ACID ETHYL ESTER, 3-Quinolinecarboxylic acid, 8-chloro-1,4-dihydro-4-oxo-, ethyl ester, 8-Chloro-4-hydroxyquinoline-3-carboxylic acid ethyl ester, AldrichCPR, C12H10ClNO3, C12-H10-Cl-N-O3, ACN-S004868, CID97160, AR-1I9591, 3-Quinolinecarboxylic acid, ethyl ester, 8-CHLORO-4-HYDROXY-QUINOLINE-3-CARBOXYLICACIDETHYLESTER, 7724-73-4,

Complexity	367
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	251.035g/mol
Formal Charge	0
Heavy Atom Count	17
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	251.666g/mol
Monoisotopic Mass	251.035g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	55.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.6

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H319
Packing Group
Precautionary statements	P305+P351+P338
UN Code

Certificate of Analysis

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