Basic information
- CAS
100334-96-1- Standard SMILES
O=c1c2c(O)cc(O)cc2oc2cccc(Cl)c12- InChIKey
XQRUJDFOOFHJKR-UHFFFAOYSA-N- Molecular formula
- C13H7ClO4
- Average molar mass
- 262.64 g/mol
- Monoisotopic mass
- 262.0032864
Names & identifiers
- Preferred name
- 8-Chloro-1,3-dihydroxy-9H-xanthen-9-one
- IUPAC
- 8-chloro-1,3-dihydroxyxanthen-9-one
Names & synonyms
8-Chloro-1,3-dihydroxy-9H-xanthen-9-one100334-96-1DTXSID001279628
Database identifiers
- CAS
100334-96-1- PubChem CID
- 85519355
- DTXSID
DTXSID001279628
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 66.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 348
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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