4-Chlorobut-2-ynyl carbamate
Basic information
- CAS
4836-77-5- Standard SMILES
NC(=O)OCC#CCCl- InChIKey
HXULXSSIDFEVHI-UHFFFAOYSA-N- Molecular formula
- C5H6ClNO2
- Average molar mass
- 147.56 g/mol
- Monoisotopic mass
- 147.0087061
Names & identifiers
- Preferred name
- 4-Chlorobut-2-ynyl carbamate
- IUPAC
- 4-chlorobut-2-ynyl carbamate
Names & synonyms
4836-77-54-chlorobut-2-ynyl carbamateNSC326137SCHEMBL5142946DTXSID403180954-Chlorobut-2-yn-1-yl carbamateAKOS006337530NSC-326137
Database identifiers
- CAS
4836-77-5- PubChem CID
- 331679
- DTXSID
DTXSID40318095
Properties
Computed structural properties
- XLogP
- 0.2
- Topological polar surface area
- 52.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 155
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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