Basic information
- CAS
6947-52-0- Standard SMILES
CCCCCCCCCCCCCCCCCCN=Cc1cc(Cl)ccc1O- InChIKey
DFIPJSRPWVUIQF-UHFFFAOYSA-N- Molecular formula
- C25H42ClNO
- Average molar mass
- 408.1 g/mol
- Monoisotopic mass
- 407.2954927
Names & identifiers
- Preferred name
- 4-Chloro-2-(octadecyliminomethyl)phenol
- IUPAC
- 4-chloro-2-(octadecyliminomethyl)phenol
Names & synonyms
NSC569646947-52-0DTXSID00424742NSC-56964(6E)-4-Chloro-6-[(octadecylamino)methylidene]cyclohexa-2,4-dien-1-one
Database identifiers
- CAS
6947-52-0- PubChem CID
- 245244
- DTXSID
DTXSID00424742
Properties
Computed structural properties
- XLogP
- 10.6
- Topological polar surface area
- 32.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 18
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 360
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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