AG001MFZ

150258-20-1 | 3-Quinolinecarboxylic acid, 4-chloro-6,8-difluoro-, ethyl ester

AG001MFZ

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CAS Number	150258-20-1
Catalog Number	AG001MFZ(AGN-PC-0K5SO6)
Chemical Name	3-Quinolinecarboxylic acid, 4-chloro-6,8-difluoro-, ethyl ester
IUPAC Name	ethyl 4-chloro-6,8-difluoroquinoline-3-carboxylate
InChI	InChI=1S/C12H8ClF2NO2/c1-2-18-12(17)8-5-16-11-7(10(8)13)3-6(14)4-9(11)15/h3-5H,2H2,1H3
InChI Key	HLIWQEZYRYNMMV-UHFFFAOYSA-N
MDL Number	MFCD00173353
Molecular Formula	C12H8ClF2NO2
Molecular Weight	271.6472
SMILES	O=C(C1=C(Cl)C2=CC(F)=CC(F)=C2N=C1)OCC
Synonyms	ethyl 4-chloro-6,8-difluoroquinoline-3-carboxylate, 150258-20-1, MFCD00173353, 4-Chloro-6,8-difluoroquinoline-3-carboxylic acid ethyl ester, Ethyl 4-Chloro-6,8-Difluoro-Quinoline-3-Carboxylic Acid Ethyl Ester, AC1LRXJC, ACMC-1C3XZ, C12H8ClF2NO2, Oprea1_854653, AC1Q32Z5, SCHEMBL6083583, CTK4C6567, DTXSID90363156, KS-00001XJ3, ZINC1391837, ZX-RL005995, 7522AA, ANW-44138, AKOS000179011, IMED316981925, MCULE-3075092110, AJ-25515, PC200603, AX8229369, RT-012613, BB 0241109, FT-0747201, ST24024941, ST50407613, 5J-042, ethyl 4-chloro-6,8-difluoro-3-quinolinecarboxylate, I14-99059, 3-Quinolinecarboxylicacid, 4-chloro-6,8-difluoro-, ethyl ester, 4-Chloro-6,8-difluoro-quinoline-3-carboxylic acid ethyl ester, ZINC01391837, CID1479089, ETHYL4-CHLORO-6,8-DIFLUOROQUINOLINE-3-CARBOXYLATE,

Complexity	319
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	271.021g/mol
Formal Charge	0
Heavy Atom Count	18
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	271.648g/mol
Monoisotopic Mass	271.021g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	39.2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

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