Basic information
- CAS
65679-72-3- Standard SMILES
O=C1C(Cl)=C(c2ccco2)C(=O)c2ccccc21- InChIKey
KHRRUOVJGRDUPX-UHFFFAOYSA-N- Molecular formula
- C14H7ClO3
- Average molar mass
- 258.65 g/mol
- Monoisotopic mass
- 258.0083718
Names & identifiers
- Preferred name
- 2-Chloro-3-(furan-2-yl)naphthalene-1,4-dione
- IUPAC
- 2-chloro-3-(furan-2-yl)naphthalene-1,4-dione
Names & synonyms
2-chloro-3-(furan-2-yl)naphthalene-1,4-dione65679-72-3DTXSID6012635582-Chloro-3-(2-furanyl)-1,4-naphthalenedione
Database identifiers
- CAS
65679-72-3- PubChem CID
- 12378130
- DTXSID
DTXSID601263558- Nikkaji
- J1.137.189B
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 47.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 427
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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