2-(Diethylamino)butan-2-yl 4-fluoro-3-iodobenzoate--hydrogen chloride (1/1)
Basic information
- CAS
67049-47-2- Standard SMILES
CC[NH+](CC)C(C)(CC)OC(=O)c1ccc(F)c(I)c1.[Cl-]- InChIKey
XMUOWIDMTKWPCZ-UHFFFAOYSA-N- Molecular formula
- C15H22ClFINO2
- Average molar mass
- 429.69 g/mol
- Monoisotopic mass
- 429.03678
Names & identifiers
- Preferred name
- 2-(Diethylamino)butan-2-yl 4-fluoro-3-iodobenzoate--hydrogen chloride (1/1)
- IUPAC
- diethyl-[2-(4-fluoro-3-iodobenzoyl)oxybutan-2-yl]azanium chloride
Names & synonyms
67049-47-2DTXSID509859942-(Diethylamino)butan-2-yl 4-fluoro-3-iodobenzoate--hydrogen chloride (1/1)RefChem:1061596DTXCID801413183Benzoic acid, 4-fluoro-3-iodo-, ((1-diethylamino-1-methyl)propyl) ester, hydrochlorideHydrochloride of the diethylamino-2-butyl 3-iodo-4-fluorobenzoate
Database identifiers
- CAS
67049-47-2- PubChem CID
- 49061
Properties
Computed structural properties
- Topological polar surface area
- 30.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 325
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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