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150258-20-1 | 3-Quinolinecarboxylic acid, 4-chloro-6,8-difluoro-, ethyl ester
CAS No: 150258-20-1 Catalog No: AG001MFZ MDL No:MFCD00173353
Product Description
Catalog Number:
AG001MFZ
Chemical Name:
3-Quinolinecarboxylic acid, 4-chloro-6,8-difluoro-, ethyl ester
CAS Number:
150258-20-1
Molecular Formula:
C12H8ClF2NO2
Molecular Weight:
271.6472
MDL Number:
MFCD00173353
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
SMILES:
CCOC(=O)c1cnc2c(c1Cl)cc(cc2F)F
Properties
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
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