AG000JHT

122794-99-4 | 3-Quinolinecarboxylic acid, 6-bromo-4-hydroxy-, ethyl ester

AG000JHT

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CAS Number	122794-99-4
Catalog Number	AG000JHT(AGN-PC-0O0HM7)
Chemical Name	3-Quinolinecarboxylic acid, 6-bromo-4-hydroxy-, ethyl ester
IUPAC Name	ethyl 6-bromo-4-oxo-1H-quinoline-3-carboxylate
InChI	InChI=1S/C12H10BrNO3/c1-2-17-12(16)9-6-14-10-4-3-7(13)5-8(10)11(9)15/h3-6H,2H2,1H3,(H,14,15)
InChI Key	IVZIOBTVAJBBAS-UHFFFAOYSA-N
MDL Number	MFCD00173362
Molecular Formula	C12H10BrNO3
Molecular Weight	296.1167
SMILES	CCOC(=O)C1=C(O)C2=C(C=CC(Br)=C2)N=C1
Synonyms	ethyl 6-bromo-4-hydroxyquinoline-3-carboxylate, 122794-99-4, 79607-23-1, ethyl 6-bromo-4-oxo-1,4-dihydroquinoline-3-carboxylate, Ethyl 6-bromo-4-hydroxy-3-quinolinecarboxylate, 6-Bromo-4-hydroxyquinoline-3-carboxylic acid ethyl ester, ethyl 6-bromo-4-oxo-1H-quinoline-3-carboxylate, 6-bromo-4-hydroxy-quinoline-3-carboxylic acid ethyl ester, CHEMBL205257, 3-QUINOLINECARBOXYLIC ACID, 6-BROMO-4-HYDROXY-, ETHYL ESTER, 6-BROMO-4-HYDROXY-3-QUINOLINECARBOXYLIC ACID ETHYL ESTER, 3-Quinolinecarboxylic acid, 6-bromo-1,4-dihydro-4-oxo-, ethyl ester, MFCD00173362, 6-bromo-3-ethoxycarbonyl-4-quinolone, AC1LEOU7, CBMicro_035845, ACMC-1C9B2, Oprea1_178211, Oprea1_383488, Oprea1_440191, SCHEMBL529424, 4-Hydroxy-6-bromoquinoline-3-carboxylic acid ethyl ester, ethyl 6-bromo-1,4-dihydro-4-oxoquinoline-3-carboxylate, AMPD00242, CTK4B3268, KS-00000KAT, DTXSID70351071, IVZIOBTVAJBBAS-UHFFFAOYSA-N, ethylbromohydroxyquinolinecarboxylate, ACT10523, BCP08175, CS-M0117, CS-M1121, 3654AH, ANW-18046, BDBM50185293, CE-823, MFCD01911606, RW3119, STK037845, STK151300, ZINC18254725, AKOS001700940, AKOS002262783, AM85513, AN-1460, MCULE-1058986492, PB14138, QC-2605, RP15948, RTR-003634, TRA0015105, KS-000006S6, AJ-70531, AK-56484, AK172130, BP-20282, CJ-15883, DA-03233, OR323198, BIM-0035878.P001, AB0056083, AB0086183, BC4125343, DB-041687, 4CH-000201, BB 0241158, FT-0642988, FT-0708559, ST24047130, ST45179791, UX00000028, Z8663, Ethyl6-bromo-4-hydroxy-3-quinolinecarboxylate, 5J-053, 94B994, B-3453, Z-8328, Z-8329, ethyl 6-bromo-4-oxohydroquinoline-3-carboxylate, I08-715, SR-01000425943, J-521176, J-650022, SR-01000425943-1, 6-bromo-4-hydroxyquinoline-3-carboxylicacidethylester, ethyl 6-bromo-4-oxo-1,4-dihydro-3-quinolinecarboxylate, 3-Quinolinecarboxylicacid, 6-bromo-4-hydroxy-, ethyl ester, 6-Bromo-4-hydroxy-quinoline-3-carboxylic acid ethyl ester, A0591/0027330, 4-Oxo-6-bromo-1,4-dihydroquinoline-3-carboxylic acid ethyl ester, 6-Bromo-1,4-dihydro-4-oxo-3-quinolinecarboxylic acid ethyl ester, 6-Bromo-4-oxo-1,4-dihydro-quinoline-3-carboxylic acid ethyl ester, 6-Bromo-4-hydroxyquinoline-3-carboxylic acid ethyl ester, AldrichCPR, D01UAS, C12H10BrNO3, ACN-S004883, CID689824, ZINC00059487, ETHYL6-BROMO-4-HYDROXYQUINOLINE-3-CARBOXYLATE, ethyl 6-bromo-4-oxo-3,4-dihydroquinoline-3-carboxylate, 6-Bromo-4-hydroxy-quinoline-3-carboxylic acid methyl ester,

Complexity	367
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	294.984g/mol
Formal Charge	0
Heavy Atom Count	17
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	296.12g/mol
Monoisotopic Mass	294.984g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	55.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.7

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

Lot Number