phenyl N-(3-chloro-4-fluorosulfonylphenyl)carbamate
Basic information
- CAS
21322-78-1- Standard SMILES
O=C(Nc1ccc(S(=O)(=O)F)c(Cl)c1)Oc1ccccc1- InChIKey
HPUSNYDLTAIWLW-UHFFFAOYSA-N- Molecular formula
- C13H9ClFNO4S
- Average molar mass
- 329.73 g/mol
- Monoisotopic mass
- 328.9924848
Names & identifiers
- Preferred name
- phenyl N-(3-chloro-4-fluorosulfonylphenyl)carbamate
- IUPAC
- phenyl N-(3-chloro-4-fluorosulfonylphenyl)carbamate
Names & synonyms
21322-78-1NSC140592DTXSID60943848NSC-140592Phenyl hydrogen [3-chloro-4-(fluorosulfonyl)phenyl]carbonimidate
Database identifiers
- CAS
21322-78-1- PubChem CID
- 284574
- DTXSID
DTXSID60943848
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 80.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 461
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Compound notes
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