Basic information
- Standard SMILES
CC(C)(C)OC(=O)NCC=CCCl- InChIKey
GNEQBZCNASXUAW-UHFFFAOYSA-N- Molecular formula
- C9H16ClNO2
- Average molar mass
- 205.68 g/mol
- Monoisotopic mass
- 205.0869564
Names & identifiers
- Preferred name
- (4-Chloro-but-2-enyl)-carbamic acid tert-butyl ester
- IUPAC
- tert-butyl N-(4-chlorobut-2-enyl)carbamate
Names & synonyms
SCHEMBL2085512GNEQBZCNASXUAW-UHFFFAOYSA-N123642-28-4DB-110115(4-Chloro-but-2-enyl)-carbamic acid tert-butyl ester
Database identifiers
- PubChem CID
- 71438464
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 38.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 185
Related reactions
5 records
Compound notes
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