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306935-69-3 | 1H,5H-Benzo[ij]quinolizine-2-carboxylic acid, 8,9-difluoro-6,7-dihydro-5-methyl-1,7-dioxo-
CAS No: 306935-69-3 Catalog No: AG0030V8 MDL No:MFCD02090133
Product Description
Catalog Number:
AG0030V8
Chemical Name:
1H,5H-Benzo[ij]quinolizine-2-carboxylic acid, 8,9-difluoro-6,7-dihydro-5-methyl-1,7-dioxo-
CAS Number:
306935-69-3
Molecular Formula:
C14H9F2NO4
Molecular Weight:
293.2224
MDL Number:
MFCD02090133
IUPAC Name:
7,8-difluoro-12-methyl-4,10-dioxo-1-azatricyclo[7.3.1.05,13]trideca-2,5,7,9(13)-tetraene-3-carboxylic acid
InChI:
InChI=1S/C14H9F2NO4/c1-5-2-9(18)10-11(16)8(15)3-6-12(10)17(5)4-7(13(6)19)14(20)21/h3-5H,2H2,1H3,(H,20,21)
InChI Key:
OGCXVLMNLBRCIN-UHFFFAOYSA-N
SMILES:
OC(=O)c1cn2C(C)CC(=O)c3c2c(c1=O)cc(c3F)F
Properties
Complexity:
561
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
293.05g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
293.226g/mol
Monoisotopic Mass:
293.05g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
74.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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