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112811-71-9 | 1-Cyclopropyl-6,7-difluoro-1,4-dihydro-8-methoxy-4-oxo-3-quinolinecarboxylic acid ethyl ester
CAS No: 112811-71-9 Catalog No: AG00387K MDL No:MFCD05864419
Product Description
Catalog Number:
AG00387K
Chemical Name:
1-Cyclopropyl-6,7-difluoro-1,4-dihydro-8-methoxy-4-oxo-3-quinolinecarboxylic acid ethyl ester
CAS Number:
112811-71-9
Molecular Formula:
C16H15F2NO4
Molecular Weight:
323.2914
MDL Number:
MFCD05864419
IUPAC Name:
ethyl 1-cyclopropyl-6,7-difluoro-8-methoxy-4-oxoquinoline-3-carboxylate
InChI:
InChI=1S/C16H15F2NO4/c1-3-23-16(21)10-7-19(8-4-5-8)13-9(14(10)20)6-11(17)12(18)15(13)22-2/h6-8H,3-5H2,1-2H3
InChI Key:
XPAOPAPDCRLMTR-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1cn(C2CC2)c2c(c1=O)cc(c(c2OC)F)F
Properties
Complexity:
534
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
323.097g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
323.296g/mol
Monoisotopic Mass:
323.097g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
55.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
Literature
| Title | Journal |
|---|---|
| Ethyl 8-chloro-1-cyclo-propyl-6,7-difluoro-4-oxo-1,4-dihydro-quinoline-3-carboxyl-ate. | Acta crystallographica. Section E, Structure reports online 20111101 |
| Ethyl 1-cyclo-propyl-6,7-difluoro-8-meth-oxy-4-oxo-1,4-dihydro-quinoline-3-carboxyl-ate. | Acta crystallographica. Section E, Structure reports online 20081101 |
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