Basic information
- CAS
18018-22-9- Standard SMILES
O=C(O)c1ccc2c(c1)C(=O)c1c(Cl)ccc(Cl)c1C2=O- InChIKey
JYKRMBCKXZSUKV-UHFFFAOYSA-N- Molecular formula
- C15H6Cl2O4
- Average molar mass
- 321.1 g/mol
- Monoisotopic mass
- 319.9643141
Names & identifiers
- Preferred name
- 5,8-Dichloro-9,10-dihydro-9,10-dioxo-2-anthroic acid
- IUPAC
- 5,8-dichloro-9,10-dioxoanthracene-2-carboxylic acid
- English name
- 5,8-dichloro-9,10-dihydro-9,10-dioxo-2-anthroic acid
- Molecular formula
- C15H6Cl2O4
- Molecular weight
- 321.11174
Names & synonyms
18018-22-95,8-Dichloro-9,10-dihydro-9,10-dioxo-2-anthroic acid5,8-dichloro-9,10-dioxoanthracene-2-carboxylic acidJYKRMBCKXZSUKV-UHFFFAOYSA-NEINECS 241-928-8SCHEMBL10888220DTXSID901709285,8-DICHLORO-9,10-DIOXO-9,10-DIHYDROANTHRACENE-2-CARBOXYLIC ACIDNS000259295,8-Dichloro-9,10-dihydro-9,10-dioxo-2-anthracenecarboxylic acid
Database identifiers
- CAS
18018-22-9- PubChem CID
- 87406
- DTXSID
DTXSID90170928- EC Number
- 241-928-8
- Nikkaji
- J260.830H
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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