Basic information
- CAS
383129-26-8- Standard SMILES
Ic1ccccc1C1CCCCCN1- InChIKey
QEZIXXCBHDMADS-UHFFFAOYSA-N- Molecular formula
- C12H16IN
- Average molar mass
- 301.17 g/mol
- Monoisotopic mass
- 301.03275
Names & identifiers
- Preferred name
- 2-(2-Iodophenyl)azepane
- IUPAC
- 2-(2-iodophenyl)azepane
Names & synonyms
2-(2-iodophenyl)azepaneHexahydro-2-(2-iodophenyl)-1H-azepineDTXSID301285369AKOS011834624383129-26-8
Database identifiers
- CAS
383129-26-8- PubChem CID
- 3988673
- DTXSID
DTXSID301285369
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 12 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 172
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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