(E)-Methyl 2-(2-iodovinyl)benzoate
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Basic information
- CAS
886986-52-3- Standard SMILES
COC(=O)c1ccccc1/C=C/I- InChIKey
ULYJNULQEHZCSS-VOTSOKGWSA-N- Molecular formula
- C10H9IO2
- Average molar mass
- 288.08 g/mol
- Monoisotopic mass
- 287.96473
Names & identifiers
- Preferred name
- (E)-Methyl 2-(2-iodovinyl)benzoate
- IUPAC
- methyl 2-[(E)-2-iodoethenyl]benzoate
- English name
- Benzoic acid, 2-[(1E)-2-iodoethenyl]-, methyl ester
- Molecular formula
- C10H9IO2
- Molecular weight
- 288.08
Names & synonyms
(E)-Methyl 2-(2-iodovinyl)benzoate1287212-33-2886986-52-3Methyl 2-[(E)-2-iodoethenyl]benzoateBenzoic acid, 2-[(1E)-2-iodoethenyl]-, methyl ester(E)-Methyl2-(2-iodovinyl)benzoatemethyl (E)-2-(2-iodovinyl)benzoateAKOS015890917ULYJNULQEHZCSS-VOTSOKGWSA-N2-(2-Iodo-vinyl)-benzoic acid methyl ester
Database identifiers
- CAS
886986-52-3- PubChem CID
- 11529376
- Nikkaji
- J2.411.226H
Properties
Computed structural propertiesFilling in
- XLogP
- 3.7
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 201
Physicochemical properties
- Boiling point
- 339.1 · 339.1±35.0 °C(Predicted)
- Density
- 1.688 · 1.688±0.06 g/cm3(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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