Basic information
- CAS
34817-14-6- Standard SMILES
O=C1c2cccc(S(=O)(=O)O)c2C(=O)c2cccc(Cl)c21- InChIKey
BJZJPUSHTCPALE-UHFFFAOYSA-N- Molecular formula
- C14H7ClO5S
- Average molar mass
- 322.7 g/mol
- Monoisotopic mass
- 321.9702722
Names & identifiers
- Preferred name
- 5-Chloro-9,10-dioxo-9,10-dihydroanthracene-1-sulfonic acid
- IUPAC
- 5-chloro-9,10-dioxoanthracene-1-sulfonic acid
Names & synonyms
SCHEMBL118017715-Chloro-9,10-dioxo-9,10-dihydroanthracene-1-sulfonic acidDTXSID00103173934817-14-6
Database identifiers
- CAS
34817-14-6- PubChem CID
- 412063
- DTXSID
DTXSID001031739
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 96.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 566
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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