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Basic information
- CAS
21315-96-8- Standard SMILES
O=C(COc1ccc([N+](=O)[O-])cc1)Nc1cccc(S(=O)(=O)F)c1- InChIKey
VLNLSAIJTQPZSG-UHFFFAOYSA-N- Molecular formula
- C14H11FN2O6S
- Average molar mass
- 354.31 g/mol
- Monoisotopic mass
- 354.03218541
Names & identifiers
- Preferred name
- 3-{[(4-Nitrophenoxy)acetyl]amino}benzenesulfonyl fluoride
- IUPAC
- 3-[[2-(4-nitrophenoxy)acetyl]amino]benzenesulfonyl fluoride
Names & synonyms
21315-96-83-(2-(4-Nitrophenoxy)acetamido)benzene-1-sulfonyl fluoride3-{[(4-nitrophenoxy)acetyl]amino}benzenesulfonyl fluoride3-[2-(4-Nitrophenoxy)acetamido]benzene-1-sulfonyl fluorideNSC118205starbld0019093DTXSID50297802NSC-118205SB83606
Database identifiers
- CAS
21315-96-8- PubChem CID
- 273201
- DTXSID
DTXSID50297802
Properties
Computed structural propertiesFilling in
- XLogP
- 2.4
- Topological polar surface area
- 127 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 5
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 551
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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