2-Chloro-5-[(E)-phenyldiazenyl]cyclohepta-2,4,6-trien-1-one
Basic information
- CAS
19240-65-4- Standard SMILES
O=c1ccc(N=Nc2ccccc2)ccc1Cl- InChIKey
UBLRSCFAFOJFMP-UHFFFAOYSA-N- Molecular formula
- C13H9ClN2O
- Average molar mass
- 244.67 g/mol
- Monoisotopic mass
- 244.0403406
Names & identifiers
- Preferred name
- 2-Chloro-5-[(E)-phenyldiazenyl]cyclohepta-2,4,6-trien-1-one
- IUPAC
- 2-chloro-5-phenyldiazenylcyclohepta-2,4,6-trien-1-one
Names & synonyms
19240-65-4NSC402099DTXSID403228142-Chloro-5-[(E)-phenyldiazenyl]cyclohepta-2,4,6-trien-1-oneNSC-402099
Database identifiers
- CAS
19240-65-4- PubChem CID
- 344930
- DTXSID
DTXSID40322814
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 41.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 415
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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