Basic information
- CAS
30885-87-1- Standard SMILES
O=C(COc1cccc([N+](=O)[O-])c1)Nc1ccc(S(=O)(=O)F)cc1- InChIKey
HCXSEGYMYGMDHQ-UHFFFAOYSA-N- Molecular formula
- C14H11FN2O6S
- Average molar mass
- 354.31 g/mol
- Monoisotopic mass
- 354.03218541
Names & identifiers
- Preferred name
- Benzenesulfonylfluoride, 4-[[2-(3-nitrophenoxy)acetyl]amino]-
- IUPAC
- 4-[[2-(3-nitrophenoxy)acetyl]amino]benzenesulfonyl fluoride
Names & synonyms
30885-87-14-(2-(3-Nitrophenoxy)acetamido)benzene-1-sulfonyl fluoride4-[2-(3-Nitrophenoxy)acetamido]benzene-1-sulfonyl fluorideNSC212368starbld0019469Benzenesulfonylfluoride, 4-[[2-(3-nitrophenoxy)acetyl]amino]-DTXSID20309587NSC-212368SB83612
Database identifiers
- CAS
30885-87-1- PubChem CID
- 309907
- DTXSID
DTXSID20309587
Properties
Computed structural properties
- 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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