Basic information
- CAS
1594-64-5- Standard SMILES
O=C1c2cccc(Cl)c2C(=O)c2c(Cl)ccc(Cl)c21- InChIKey
ISPZGSLKFNLVQT-UHFFFAOYSA-N- Molecular formula
- C14H5Cl3O2
- Average molar mass
- 311.5 g/mol
- Monoisotopic mass
- 309.935512
Names & identifiers
- Preferred name
- 1,4,5-Trichloro-9,10-anthracenedione
- IUPAC
- 1,4,5-trichloroanthracene-9,10-dione
- English name
- 1,4,5-Trichloro-9,10-antracenedione
- Molecular formula
- C14H5Cl3O2
- Molecular weight
- 311.55
Names & synonyms
1594-64-51,4,5-Trichloro-9,10-anthracenedioneRefChem:2198461,4,5-trichloroanthracene-9,10-dione1,4,5-Trichloro-9,10-antracenedioneSCHEMBL1476410DTXSID8012919759,10-Anthracenedione, 1,4,5-trichloro-
Database identifiers
- CAS
1594-64-5- PubChem CID
- 4639769
- DTXSID
DTXSID801291975- Nikkaji
- J33.315H
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 34.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 411
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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