Home Carboxys 8,9-Difluoro-5-methyl-6,7-dihydro-1-oxo-1h,5h-benzo[ij]quinolizine-2-carboxylic acid

8,9-Difluoro-5-methyl-6,7-dihydro-1-oxo-1h,5h-benzo[ij]quinolizine-2-carboxylic acid

CAS No.:
80076-47-7
Catalog Number:
AG008NOU
Molecular Formula:
C14H11F2NO3
Molecular Weight:
279.2388
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$155
- +
5g
95%
In Stock USA
United States
$433
- +
Product Description
Catalog Number:
AG008NOU
Chemical Name:
8,9-Difluoro-5-methyl-6,7-dihydro-1-oxo-1h,5h-benzo[ij]quinolizine-2-carboxylic acid
CAS Number:
80076-47-7
Molecular Formula:
C14H11F2NO3
Molecular Weight:
279.2388
MDL Number:
MFCD07772027
IUPAC Name:
7,8-difluoro-12-methyl-4-oxo-1-azatricyclo[7.3.1.05,13]trideca-2,5,7,9(13)-tetraene-3-carboxylic acid
InChI:
InChI=1S/C14H11F2NO3/c1-6-2-3-7-11(16)10(15)4-8-12(7)17(6)5-9(13(8)18)14(19)20/h4-6H,2-3H2,1H3,(H,19,20)
InChI Key:
XUROCEZEOCOWSX-UHFFFAOYSA-N
SMILES:
OC(=O)c1cn2C(C)CCc3c2c(c1=O)cc(c3F)F
Properties
Complexity:
493  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
279.071g/mol
Formal Charge:
0
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
279.243g/mol
Monoisotopic Mass:
279.071g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
57.6A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
3  
Properties