Molecule ID: 122198266

IUPAC Name: (6,8-difluoro-4-methyl-2-oxochromen-7-yl) phosphate

Description: The molecule is major microspecies at pH 7.3 It derives from a coumarin. It is a conjugate base of a 6,8-difluoro-4-methylumbelliferyl phosphate.

SMILES: Cc1cc(=O)oc2c(F)c(OP(=O)([O-])[O-])c(F)cc12

SELFIES: [C][C][=C][C][=Branch1][C][=O][O][C][=C][Branch1][C][F][C][Branch1][#Branch2][O][P][=Branch1][C][=O][Branch1][C][O-1][O-1][=C][Branch1][C][F][C][=C][Ring2][Ring1][C][Ring1][=N]

InChI: InChI=1S/C10H7F2O6P/c1-4-2-7(13)17-9-5(4)3-6(11)10(8(9)12)18-19(14,15)16/h2-3H,1H3,(H2,14,15,16)/p-2

Molecular Properties:
- Polar Surface Area: 98.7 Ų
- LogP: 0.2