Home Halogens 2-(5-chlorothiophen-2-yl)-8-fluoro-6-methylquinoline-4-carboxylic acid

2-(5-chlorothiophen-2-yl)-8-fluoro-6-methylquinoline-4-carboxylic acid

CAS No.:
1405577-41-4
Catalog Number:
AG01BBWW
Molecular Formula:
C15H9ClFNO2S
Molecular Weight:
321.7539
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Product Description
Catalog Number:
AG01BBWW
Chemical Name:
2-(5-chlorothiophen-2-yl)-8-fluoro-6-methylquinoline-4-carboxylic acid
CAS Number:
1405577-41-4
Molecular Formula:
C15H9ClFNO2S
Molecular Weight:
321.7539
MDL Number:
MFCD28714640
IUPAC Name:
2-(5-chlorothiophen-2-yl)-8-fluoro-6-methylquinoline-4-carboxylic acid
InChI:
InChI=1S/C15H9ClFNO2S/c1-7-4-8-9(15(19)20)6-11(12-2-3-13(16)21-12)18-14(8)10(17)5-7/h2-6H,1H3,(H,19,20)
InChI Key:
CHOGAJQIAGPQPR-UHFFFAOYSA-N
SMILES:
Cc1cc(F)c2c(c1)c(cc(n2)c1ccc(s1)Cl)C(=O)O
Properties
Complexity:
413  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
321.003g/mol
Formal Charge:
0
Heavy Atom Count:
21  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
321.75g/mol
Monoisotopic Mass:
321.003g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
78.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5  
Properties