Basic information
- CAS
21320-88-7- Standard SMILES
COc1ccc(NC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)cc1S(=O)(=O)F- InChIKey
YMULCTSLEGRXHN-RUDMXATFSA-N- Molecular formula
- C16H13FN2O6S
- Average molar mass
- 380.3 g/mol
- Monoisotopic mass
- 380.04783547
Names & identifiers
- Preferred name
- 2-methoxy-5-[[(E)-3-(4-nitrophenyl)prop-2-enoyl]amino]benzenesulfonyl fluoride
- IUPAC
- 2-methoxy-5-[[(E)-3-(4-nitrophenyl)prop-2-enoyl]amino]benzenesulfonyl fluoride
Names & synonyms
NSC21111721320-88-7DTXSID60421919NSC-2111172-Methoxy-5-[(2E)-3-(4-nitrophenyl)prop-2-enamido]benzene-1-sulfonyl fluoride
Database identifiers
- CAS
21320-88-7- PubChem CID
- 6089084
- DTXSID
DTXSID60421919
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 127 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 5
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 634
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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