2-Chloro-3-(chloromethyl)naphthalene-1,4-dione
Basic information
- CAS
31489-59-5- Standard SMILES
O=C1C(Cl)=C(CCl)C(=O)c2ccccc21- InChIKey
DPIKZXAIPNGTLG-UHFFFAOYSA-N- Molecular formula
- C11H6Cl2O2
- Average molar mass
- 241.07 g/mol
- Monoisotopic mass
- 239.9744848
Names & identifiers
- Preferred name
- 2-Chloro-3-(chloromethyl)naphthalene-1,4-dione
- IUPAC
- 2-chloro-3-(chloromethyl)naphthalene-1,4-dione
Names & synonyms
2-Chloro-3-(chloromethyl)naphthalene-1,4-dione31489-59-5DTXSID501853912-CHLORO-3-(CHLOROMETHYL)-1,4-DIHYDRONAPHTHALENE-1,4-DIONEAKOS024456071
Database identifiers
- CAS
31489-59-5- PubChem CID
- 182045
- DTXSID
DTXSID50185391- Nikkaji
- J697.690E
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 34.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 346
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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