Basic information
- CAS
29052-08-2- Standard SMILES
CCCC(=O)Oc1ccc(I)cc1- InChIKey
FHKUQGMEUYZHFO-UHFFFAOYSA-N- Molecular formula
- C10H11IO2
- Average molar mass
- 290.1 g/mol
- Monoisotopic mass
- 289.98038
Names & identifiers
- Preferred name
- 4-Iodophenyl butyrate
- IUPAC
- (4-iodophenyl) butanoate
- English name
- Butyric acid p-iodophenyl ester
- Molecular formula
- C10H11IO2
- Molecular weight
- 290.1
Names & synonyms
4-Iodophenyl butyrateButyric acid, p-iodophenyl ester29052-08-2DTXSID40337009RefChem:293584DTXCID90288097FHKUQGMEUYZHFO-UHFFFAOYSA-N4-iodophenyl butanoate4-Iodophenyl butyrate #SCHEMBL2242019Butyric acid p-iodophenyl esterButanoic acid, 4-iodophenyl ester
Database identifiers
- CAS
29052-08-2- PubChem CID
- 537848
- DTXSID
DTXSID40337009- Nikkaji
- J108.191H
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 162
Physicochemical properties
- Boiling point
- 302.7 · 302.7±25.0 °C(Predicted)
- Density
- 1.592 · 1.592±0.06 g/cm3(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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