Basic information
- CAS
455-80-1- Standard SMILES
CCCCN(CCCC)CCCOC(=O)c1ccc(F)c(I)c1.Cl- InChIKey
HQMLPMDFUQGCBW-UHFFFAOYSA-N- Molecular formula
- C18H28ClFINO2
- Average molar mass
- 471.8 g/mol
- Monoisotopic mass
- 471.08373
Names & identifiers
- Preferred name
- Dibutylaminopropyl 3-iodo-4-fluorobenzoate hydrochloride
- IUPAC
- 3-(dibutylamino)propyl 4-fluoro-3-iodobenzoate;hydrochloride
Names & synonyms
455-80-14-Fluoro-3-iodobenzoic acid, 3-(dibutylamino)propyl ester, hydrochlorideHydrochloride of the di-n-butylaminopropyl 3-iodo-4-fluorobenzoateDibutylaminopropyl 3-iodo-4-fluorobenzoate HydrochlorideDibutylaminopropyl 3-iodo-4-fluorobenzoate HClDTXSID00196538BENZOIC ACID, 4-FLUORO-3-IODO-, 3-(DIBUTYLAMINO)PROPYL ESTER, HYDROCHLORIDERefChem:337391DTXCID401190293-(Dibutylamino)propyl 4-fluoro-3-iodobenzoate--hydrogen chloride (1/1)
Database identifiers
- CAS
455-80-1- PubChem CID
- 9969
- DTXSID
DTXSID00196538
Properties
Computed structural properties
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 12
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 322
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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