Basic information
- CAS
25299-97-2- Standard SMILES
O=C(COc1ccc([N+](=O)[O-])cc1Cl)Nc1ccc(Cl)c(S(=O)(=O)F)c1- InChIKey
VRLVOMPFQYHVSZ-UHFFFAOYSA-N- Molecular formula
- C14H9Cl2FN2O6S
- Average molar mass
- 423.2 g/mol
- Monoisotopic mass
- 421.9542407
Names & identifiers
- Preferred name
- Benzenesulfonylfluoride, 2-chloro-5-[[2-(2-chloro-4-nitrophenoxy)acetyl]amino]-
- IUPAC
- 2-chloro-5-[[2-(2-chloro-4-nitrophenoxy)acetyl]amino]benzenesulfonyl fluoride
Names & synonyms
25299-97-22-Chloro-5-(2-(2-chloro-4-nitrophenoxy)acetamido)benzene-1-sulfonyl fluoride2-Chloro-5-[2-(2-chloro-4-nitrophenoxy)acetamido]benzene-1-sulfonyl fluorideNSC212203starbld0019423Benzenesulfonylfluoride, 2-chloro-5-[[2-(2-chloro-4-nitrophenoxy)acetyl]amino]-DTXSID90309514NSC-212203
Database identifiers
- CAS
25299-97-2- PubChem CID
- 309765
- DTXSID
DTXSID90309514
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 127 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 5
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 626
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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