Butyl iodoacetate
Basic information
- CAS
5345-61-9- Standard SMILES
CCCCOC(=O)CI- InChIKey
MPLKDWCVBIOQRN-UHFFFAOYSA-N- Molecular formula
- C6H11IO2
- Average molar mass
- 242.05 g/mol
- Monoisotopic mass
- 241.98038
Names & identifiers
- Preferred name
- Butyl iodoacetate
- IUPAC
- butyl 2-iodoacetate
Names & synonyms
butyl 2-iodoacetateButyl iodoacetate5345-61-9Iodoacetic acid butyl esterSCHEMBL5178455DTXSID80277334NSC1713MPLKDWCVBIOQRN-UHFFFAOYSA-NNSC-1713IODOACETIC ACID, BUTYL ESTER
Database identifiers
- CAS
5345-61-9- PubChem CID
- 219911
- DTXSID
DTXSID80277334- Nikkaji
- J191.960A
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 83.1
Experimental & physicochemical properties
SpringerMaterials PropertiesSurface tension
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Compound notes
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