Basic information
- CAS
61661-16-3- Standard SMILES
O=C1C(=Cc2cccc(Cl)c2)Cc2ccccc21- InChIKey
KLAHLAAXUZQNTH-UHFFFAOYSA-N- Molecular formula
- C16H11ClO
- Average molar mass
- 254.71 g/mol
- Monoisotopic mass
- 254.0498427
Names & identifiers
- Preferred name
- 1H-Inden-1-one, 2-[(3-chlorophenyl)methylene]-2,3-dihydro-
- IUPAC
- 2-[(3-chlorophenyl)methylidene]-3H-inden-1-one
Names & synonyms
2-[(3-chlorophenyl)methylidene]-2,3-dihydro-1H-inden-1-oneMLS00338916461661-16-31H-Inden-1-one, 2-[(3-chlorophenyl)methylene]-2,3-dihydro-ChemDiv3_007746CHEMBL2137719DTXSID60327189AKOS030745916SMR002048832
Database identifiers
- CAS
61661-16-3- PubChem CID
- 367221
- DTXSID
DTXSID60327189- ChEMBL
CHEMBL2137719
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 360
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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