Basic information
- CAS
94627-91-5- Standard SMILES
O=C(Nc1ccc(Cl)cc1)OC1CCS(=O)(=O)C1- InChIKey
IDSGCYGEWZRUOT-UHFFFAOYSA-N- Molecular formula
- C11H12ClNO4S
- Average molar mass
- 289.74 g/mol
- Monoisotopic mass
- 289.0175567
Names & identifiers
- Preferred name
- (1,1-dioxothiolan-3-yl) N-(4-chlorophenyl)carbamate
- IUPAC
- (1,1-dioxothiolan-3-yl) N-(4-chlorophenyl)carbamate
Names & synonyms
94627-91-5NSC137085DTXSID50915392NSC-1370851,1-Dioxo-1lambda~6~-thiolan-3-yl (4-chlorophenyl)carbamate
Database identifiers
- CAS
94627-91-5- PubChem CID
- 282951
- DTXSID
DTXSID50915392
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 80.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 398
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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