Basic information
- CAS
78456-63-0- Standard SMILES
O=c1ccc(=O)c2c(=O)c(Cl)c(Cl)c(=O)c1=2- InChIKey
JCGZOXQVXZJDSW-UHFFFAOYSA-N- Molecular formula
- C10H2Cl2O4
- Average molar mass
- 257.02 g/mol
- Monoisotopic mass
- 255.9330139
Names & identifiers
- Preferred name
- 2,3-Dichloro-1,4,5,8-naphthalenetetrone
- IUPAC
- 2,3-dichloronaphthalene-1,4,5,8-tetrone
Names & synonyms
2,3-Dichloro-1,4,5,8-naphthalenetetrone78456-63-0CCRIS 6668DTXSID40229091RefChem:244524DTXCID601515822,3-dichloronaphthalene-1,4,5,8-tetroneSCHEMBL30638192,3-dichloro-1,4,5,8-naphthodiquinone
Database identifiers
- CAS
78456-63-0- PubChem CID
- 150698
- DTXSID
DTXSID40229091- Nikkaji
- J605.376I
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 68.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 515
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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