Benzenesulfonylfluoride, 4-[[4-(2-chloro-4-nitrophenoxy)-1-oxobutyl]amino]-
Basic information
- CAS
30885-83-7- Standard SMILES
O=C(CCCOc1ccc([N+](=O)[O-])cc1Cl)Nc1ccc(S(=O)(=O)F)cc1- InChIKey
HKBZLILNSOAMCJ-UHFFFAOYSA-N- Molecular formula
- C16H14ClFN2O6S
- Average molar mass
- 416.8 g/mol
- Monoisotopic mass
- 416.0245132
Names & identifiers
- Preferred name
- Benzenesulfonylfluoride, 4-[[4-(2-chloro-4-nitrophenoxy)-1-oxobutyl]amino]-
- IUPAC
- 4-[4-(2-chloro-4-nitrophenoxy)butanoylamino]benzenesulfonyl fluoride
Names & synonyms
30885-83-74-(4-(2-Chloro-4-nitrophenoxy)butanamido)benzene-1-sulfonyl fluoride4-[4-(2-Chloro-4-nitrophenoxy)butanamido]benzene-1-sulfonyl fluorideNSC212402starbld0019475Benzenesulfonylfluoride, 4-[[4-(2-chloro-4-nitrophenoxy)-1-oxobutyl]amino]-DTXSID30309619NSC-212402
Database identifiers
- CAS
30885-83-7- PubChem CID
- 309941
- DTXSID
DTXSID30309619
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 127 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 7
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 615
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Compound notes
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