Basic information
- CAS
91650-66-7- Standard SMILES
O=C1C2=C(C(=O)c3ccccc31)C(Cl)(S(=O)(=O)O)CC=C2- InChIKey
VQINMPCQGMPSOW-UHFFFAOYSA-N- Molecular formula
- C14H9ClO5S
- Average molar mass
- 324.7 g/mol
- Monoisotopic mass
- 323.9859223
Names & identifiers
- Preferred name
- 1-Chloro-9,10-dioxo-1,2,9,10-tetrahydroanthracene-1-sulfonic acid
- IUPAC
- 1-chloro-9,10-dioxo-2H-anthracene-1-sulfonic acid
Names & synonyms
91650-66-7DTXSID407573241-Chloro-9,10-dioxo-1,2,9,10-tetrahydroanthracene-1-sulfonic acid
Database identifiers
- CAS
91650-66-7- PubChem CID
- 71328362
- DTXSID
DTXSID40757324
Properties
Computed structural properties
- XLogP
- 1.5
- 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
- 685
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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