Molecule ID: 18942321

IUPAC Name: 6,8-difluoro-7-hydroxy-2-oxochromene-3-carboxylic acid

Description: The molecule is a hydroxycoumarin having the hydroxy group located at position 7 and bearing two fluoro substituents at positions 6 and 8 as well as a carboxy group at position 3. A fluorescent dye of excitation wavelength 403 nm and emission wavelength 455 nm. It has a role as a fluorochrome. It is a hydroxycoumarin, an organofluorine compound and a monocarboxylic acid.

SMILES: O=C(O)c1cc2cc(F)c(O)c(F)c2oc1=O

SELFIES: [O][=C][Branch1][C][O][C][=C][C][=C][C][Branch1][C][F][=C][Branch1][C][O][C][Branch1][C][F][=C][Ring1][=Branch2][O][C][Ring1][=N][=O]

InChI: InChI=1S/C10H4F2O5/c11-5-2-3-1-4(9(14)15)10(16)17-8(3)6(12)7(5)13/h1-2,13H,(H,14,15)

Molecular Properties:
- Polar Surface Area: 83.8 Ų
- LogP: 2.0