2-(4,5-Dichloro-6-hydroxy-3-oxo-3H-xanthen-9-yl)benzoic acid
2-(4,5-dichloro-3-hydroxy-6-oxoxanthen-9-yl)benzoic acid
Also Known As: Dichlorofluorescein|4',5'-Dichlorofluorescein|2-(4,5-dichloro-6-hydroxy-3-oxo-3h-xanthen-9-yl)benzoic acid|J1.134.382A|2-(4,5-dichloro-3-hydroxy-6-oxoxanthen-9-yl)benzoic acid|2-(4,5-dichloro-3-hydroxy-6-oxo-xanthen-9-yl)benzoic acid|2-(4,5-dichloro-6-hydroxy-3-oxo-xanthen-9-yl)benzoic acid|2-(3-Hydroxy-4,5-dichloro-6-oxo-6H-xanthene-9-yl)benzoic acid|Spiro[isobenzofuran-1(3H),9'-[9H]xanthen]-3-one, 4',5'-dichloro-3',6'-dihydroxy-
| Molecular Formula | C20H10Cl2O5 |
|---|---|
| Molecular Weight | 399.99054 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 83.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 399.99054 |
| Monoisotopic Mass | 399.99054 |
| Heavy Atoms | 27 |
| Complexity | 768.0 |
Chemical Identifiers
| CAS Number | 81-87-8 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C2=C3C=CC(=O)C(=C3OC4=C2C=CC(=C4Cl)O)Cl)C(=O)O |
| InChIKey | QZJUUWVEZFULLI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-(4,5-Dichloro-6-hydroxy-3-oxo-3H-xanthen-9-yl)benzoic acid (CAS 81-87-8), with molecular formula C20H10Cl2O5 and molecular weight 399.99054 g/mol. IUPAC: 2-(4,5-dichloro-3-hydroxy-6-oxoxanthen-9-yl)benzoic acid.