Basic information
- CAS
22295-52-9- Standard SMILES
O=C1C(Cl)=C(n2ccnc2)C(=O)c2ccccc21- InChIKey
FFQBRIRVEADZSE-UHFFFAOYSA-N- Molecular formula
- C13H7ClN2O2
- Average molar mass
- 258.66 g/mol
- Monoisotopic mass
- 258.0196052
Names & identifiers
- Preferred name
- 2-Chloro-3-imidazol-1-ylnaphthalene-1,4-dione
- IUPAC
- 2-chloro-3-imidazol-1-ylnaphthalene-1,4-dione
Names & synonyms
22295-52-9NSC403402-chloro-3-(1h-imidazol-1-yl)naphthalene-1,4-dione2-chloro-3-imidazol-1-ylnaphthalene-1,4-dioneDTXSID60285053NSC-403402-Chloro-3-(1H-imidazol-1-yl)naphthoquinone2-chloro-3-imidazol-1-yl-naphthalene-1,4-dione
Database identifiers
- CAS
22295-52-9- PubChem CID
- 237100
- DTXSID
DTXSID60285053
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 52 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 433
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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