Benzenamine, 4-bromo-N-(2-ethoxy-2,4,6-cycloheptatrien-1-ylidene)-
Basic information
- CAS
830356-31-5- Standard SMILES
CCOc1cccccc1=Nc1ccc(Br)cc1- InChIKey
AWJGRYUJWIKIDZ-UHFFFAOYSA-N- Molecular formula
- C15H14BrNO
- Average molar mass
- 304.18 g/mol
- Monoisotopic mass
- 303.02588
Names & identifiers
- Preferred name
- Benzenamine, 4-bromo-N-(2-ethoxy-2,4,6-cycloheptatrien-1-ylidene)-
- IUPAC
- N-(4-bromophenyl)-2-ethoxycyclohepta-2,4,6-trien-1-imine
Names & synonyms
830356-31-5Benzenamine, 4-bromo-N-(2-ethoxy-2,4,6-cycloheptatrien-1-ylidene)-DTXSID20461396(1E)-N-(4-Bromophenyl)-2-ethoxycyclohepta-2,4,6-trien-1-imine
Database identifiers
- CAS
830356-31-5- PubChem CID
- 11289682
- DTXSID
DTXSID20461396
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 21.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 387
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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