Basic information
- CAS
25998-89-4- Standard SMILES
NS(=O)(=O)Oc1ccc(Cl)cc1- InChIKey
CQGQVNKFCSRASR-UHFFFAOYSA-N- Molecular formula
- C6H6ClNO3S
- Average molar mass
- 207.64 g/mol
- Monoisotopic mass
- 206.97569173
Names & identifiers
- Preferred name
- 4-Chlorophenyl Sulfamate
- IUPAC
- (4-chlorophenyl) sulfamate
Names & synonyms
4-Chlorophenyl Sulfamate25998-89-4CHEMBL23350Sulfamic acid 4-chloro-phenyl esterSulfamic acid 4-chlorophenyl ester(4-chlorophenyl) sulfamateSCHEMBL2236572DTXSID60435652CQGQVNKFCSRASR-UHFFFAOYSA-NBDBM50098102PD129797EN300-1988287
Database identifiers
- CAS
25998-89-4- PubChem CID
- 10104483
- DTXSID
DTXSID60435652- ChEMBL
CHEMBL23350- Nikkaji
- J1.329.854H
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 77.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 228
Related reactions
4 records
Compound notes
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