Phenol, 2,4-diiodo-, acetate
Basic information
- CAS
36914-80-4- Standard SMILES
CC(=O)Oc1ccc(I)cc1I- InChIKey
KVMGMCWDIJHCJO-UHFFFAOYSA-N- Molecular formula
- C8H6I2O2
- Average molar mass
- 387.94 g/mol
- Monoisotopic mass
- 387.84572
Names & identifiers
- Preferred name
- Phenol, 2,4-diiodo-, acetate
- IUPAC
- (2,4-diiodophenyl) acetate
- English name
- Phenol,2,4-diiodo-,acetate
- Molecular formula
- C8H6I2O2
- Molecular weight
- 387.94
Names & synonyms
Phenol, 2,4-diiodo-, acetate36914-80-4(2,4-diiodophenyl) acetatePhenol,2,4-diiodo-,acetate2,4-diiodophenyl acetateSCHEMBL196363DTXSID50190400Acetic acid 2,4-diiodo-phenyl esterPhenol, 2,4-diiodo-, 1-acetate
Database identifiers
- CAS
36914-80-4- PubChem CID
- 142116
- DTXSID
DTXSID50190400- Nikkaji
- J323.608K
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 172
Experimental & physicochemical properties
SpringerMaterials PropertiesChemical shift
Physicochemical properties
- Boiling point
- 351.6 · 351.6±32.0 °C(Predicted)
- Density
- 2.265 · 2.265±0.06 g/cm3(Predicted)
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Related reactions
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Compound notes
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