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169749-89-7 | Ethyl 8-chloro-1-cyclopropyl-7-fluoro-9-methyl-4-oxo-4H-quinolizine-3-carboxylate
CAS No: 169749-89-7 Catalog No: AG0039Z1 MDL No:MFCD08706401
Product Description
Catalog Number:
AG0039Z1
Chemical Name:
Ethyl 8-chloro-1-cyclopropyl-7-fluoro-9-methyl-4-oxo-4H-quinolizine-3-carboxylate
CAS Number:
169749-89-7
Molecular Formula:
C16H15ClFNO3
Molecular Weight:
323.7466
MDL Number:
MFCD08706401
IUPAC Name:
ethyl 8-chloro-1-cyclopropyl-7-fluoro-9-methyl-4-oxoquinolizine-3-carboxylate
InChI:
InChI=1S/C16H15ClFNO3/c1-3-22-16(21)11-6-10(9-4-5-9)14-8(2)13(17)12(18)7-19(14)15(11)20/h6-7,9H,3-5H2,1-2H3
InChI Key:
CZWOEPIYDWRSSK-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1cc(C2CC2)c2n(c1=O)cc(c(c2C)Cl)F
Properties
Complexity:
698
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
323.072g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
323.748g/mol
Monoisotopic Mass:
323.072g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
46.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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