3-[[2-(2-Chloro-4-nitrophenoxy)acetyl]amino]benzenesulfonyl fluoride
Basic information
- CAS
21278-53-5- Standard SMILES
O=C(COc1ccc([N+](=O)[O-])cc1Cl)Nc1cccc(S(=O)(=O)F)c1- InChIKey
CMUIRKKJJBZSKN-UHFFFAOYSA-N- Molecular formula
- C14H10ClFN2O6S
- Average molar mass
- 388.8 g/mol
- Monoisotopic mass
- 387.9932131
Names & identifiers
- Preferred name
- 3-[[2-(2-Chloro-4-nitrophenoxy)acetyl]amino]benzenesulfonyl fluoride
- IUPAC
- 3-[[2-(2-chloro-4-nitrophenoxy)acetyl]amino]benzenesulfonyl fluoride
Names & synonyms
21278-53-5NSC2111223-[[2-(2-chloro-4-nitrophenoxy)acetyl]amino]benzenesulfonyl fluorideDTXSID30309098NSC-2111223-[2-(2-Chloro-4-nitrophenoxy)acetamido]benzene-1-sulfonyl fluoride
Database identifiers
- CAS
21278-53-5- PubChem CID
- 308987
- DTXSID
DTXSID30309098
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 127 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 5
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 593
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Related reactions
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Compound notes
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