3-(Morpholin-4-yl)propyl 4-fluoro-3-iodobenzoate--hydrogen chloride (1/1)
Basic information
- CAS
63916-82-5- Standard SMILES
O=C(OCCC[NH+]1CCOCC1)c1ccc(F)c(I)c1.[Cl-]- InChIKey
ZOPFXVXOZZFVGS-UHFFFAOYSA-N- Molecular formula
- C14H18ClFINO3
- Average molar mass
- 429.65 g/mol
- Monoisotopic mass
- 429.0004
Names & identifiers
- Preferred name
- 3-(Morpholin-4-yl)propyl 4-fluoro-3-iodobenzoate--hydrogen chloride (1/1)
- IUPAC
- 3-morpholin-4-ium-4-ylpropyl 4-fluoro-3-iodobenzoate chloride
Names & synonyms
63916-82-5DTXSID209810293-(Morpholin-4-yl)propyl 4-fluoro-3-iodobenzoate--hydrogen chloride (1/1)RefChem:1067194DTXCID001408302BENZOIC ACID, 4-FLUORO-3-IODO-, 3-(4-MORPHOLINO)PROPYL ESTER, HYDROCHLORIDEHydrochloride of the 3-(4-morpholino)propyl-3-iodo-4-fluorobenzoate
Database identifiers
- CAS
63916-82-5- PubChem CID
- 45243
Properties
Computed structural properties
- Topological polar surface area
- 40 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 313
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Related reactions
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Compound notes
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