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

C₁₄H₁₁F₂NO₃CAS 80076-47-7279.24 g/mol

Open in Covalent MOL file

Aryl halide Carboxylic acid

Properties

Molecular formula: C₁₄H₁₁F₂NO₃
Molar mass: 279.24 g/mol
Exact mass: 279.0707 Da
logP: 2.49Crippen estimate
Polar surface area: 59.3 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 1

Identifiers

CAS number

80076-47-7

SMILES

CC1CCc2c(F)c(F)cc3c(=O)c(C(=O)O)cn1c23

InChIKey

XUROCEZEOCOWSX-UHFFFAOYSA-N

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)

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Names and synonyms

1 names

1H,5H-Benzo[ij]quinolizine-2-carboxylic acid, 8,9-difluoro-6,7-dihydro-5-methyl-1-oxo-

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

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

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Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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