Basic information
- CAS
4835-22-7- Standard SMILES
O=C(Nc1ccccc1Cl)OCC#CCCl- InChIKey
CWLSXRCMKKULGM-UHFFFAOYSA-N- Molecular formula
- C11H9Cl2NO2
- Average molar mass
- 258.1 g/mol
- Monoisotopic mass
- 257.0010339
Names & identifiers
- Preferred name
- 4-chlorobut-2-ynyl N-(2-chlorophenyl)carbamate
- IUPAC
- 4-chlorobut-2-ynyl N-(2-chlorophenyl)carbamate
Names & synonyms
4835-22-7NSC29174SCHEMBL11310903DTXSID70964049NSC-291744-Chlorobut-2-yn-1-yl hydrogen (2-chlorophenyl)carbonimidate
Database identifiers
- CAS
4835-22-7- PubChem CID
- 232128
- DTXSID
DTXSID70964049
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 38.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 295
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…