Basic information
- CAS
6307-23-9- Standard SMILES
CCCCCCCCCCCCCCCCCC1=NCCN1CCOC1=C(Cl)C(=O)c2ccccc2C1=O- InChIKey
FCCWDQTVKKSMNN-UHFFFAOYSA-N- Molecular formula
- C32H47ClN2O3
- Average molar mass
- 543.2 g/mol
- Monoisotopic mass
- 542.3275211
Names & identifiers
- Preferred name
- 2-Chloro-3-[2-(2-heptadecyl-4,5-dihydro-1h-imidazol-1-yl)ethoxy]naphthalene-1,4-dione
- IUPAC
- 2-chloro-3-[2-(2-heptadecyl-4,5-dihydroimidazol-1-yl)ethoxy]naphthalene-1,4-dione
Names & synonyms
6307-23-92-chloro-3-[2-(2-heptadecyl-4,5-dihydro-1h-imidazol-1-yl)ethoxy]naphthalene-1,4-dioneNSC41099DTXSID90285223NSC-41099
Database identifiers
- CAS
6307-23-9- PubChem CID
- 237491
- DTXSID
DTXSID90285223
Properties
Computed structural properties
- XLogP
- 10.1
- Topological polar surface area
- 59 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 20
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 794
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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