Basic information
- CAS
58236-19-4- Standard SMILES
O=C(O)c1cccc2c1C(=O)c1cc(Cl)c(Cl)cc1C2=O- InChIKey
LTQQNOCPMNSDJT-UHFFFAOYSA-N- Molecular formula
- C15H6Cl2O4
- Average molar mass
- 321.1 g/mol
- Monoisotopic mass
- 319.9643141
Names & identifiers
- Preferred name
- 1-Anthracenecarboxylic acid, 6,7-dichloro-9,10-dihydro-9,10-dioxo-
- IUPAC
- 6,7-dichloro-9,10-dioxoanthracene-1-carboxylic acid
Names & synonyms
58236-19-4DTXSID403476281-Anthracenecarboxylic acid, 6,7-dichloro-9,10-dihydro-9,10-dioxo-RefChem:227591DTXCID202987006,7-Dichloroanthraquinone-1-carboxylic acidLTQQNOCPMNSDJT-UHFFFAOYSA-N6,7-Dichloro-9,10-dioxo-9,10-dihydro-1-anthracenecarboxylic acid #6,7-DICHLORO-9,10-DIOXO-9,10-DIHYDROANTHRACENE-1-CARBOXYLIC ACID
Database identifiers
- CAS
58236-19-4- PubChem CID
- 623980
- DTXSID
DTXSID40347628
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 71.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 492
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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