Basic information
- CAS
138248-79-0- Standard SMILES
CCCNC(=O)OCCC#CI- InChIKey
ZABZIHZUWOERSU-UHFFFAOYSA-N- Molecular formula
- C8H12INO2
- Average molar mass
- 281.09 g/mol
- Monoisotopic mass
- 280.99128
Names & identifiers
- Preferred name
- 4-Iodobut-3-yn-1-yl propylcarbamate
- IUPAC
- 4-iodobut-3-ynyl N-propylcarbamate
Names & synonyms
138248-79-04-Iodobut-3-yn-1-yl propylcarbamateSCHEMBL5606460DTXSID00768830
Database identifiers
- CAS
138248-79-0- PubChem CID
- 71342016
- DTXSID
DTXSID00768830
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 38.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 192
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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