Basic information
- CAS
13398-12-4- Standard SMILES
CC(=O)OC(C)I- InChIKey
FBQWMTAAWINZJD-UHFFFAOYSA-N- Molecular formula
- C4H7IO2
- Average molar mass
- 214 g/mol
- Monoisotopic mass
- 213.94908
Names & identifiers
- Preferred name
- 1-Iodoethyl acetate
- IUPAC
- 1-iodoethyl acetate
Names & synonyms
1-iodoethyl acetateSCHEMBL410451SCHEMBL1567807FBQWMTAAWINZJD-UHFFFAOYSA-N
Database identifiers
- CAS
13398-12-4- PubChem CID
- 15023862
- Nikkaji
- J1.672.208A
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 7
- Formal charge
- 0
- Complexity
- 72.1
Related reactions
1 records
Compound notes
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