N-[2-[3,5-bis(trifluoromethyl)phenyl]-4-(4-nitrophenyl)-1,3,2-dioxaborinan-5-yl]-2,2-dichloroacetamide
Basic information
- CAS
93489-49-7- Standard SMILES
O=C(NC1COB(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)OC1c1ccc([N+](=O)[O-])cc1)C(Cl)Cl- InChIKey
UGUDVTREISIHJT-UHFFFAOYSA-N- Molecular formula
- C19H13BCl2F6N2O5
- Average molar mass
- 545 g/mol
- Monoisotopic mass
- 544.019876
Names & identifiers
- Preferred name
- N-[2-[3,5-bis(trifluoromethyl)phenyl]-4-(4-nitrophenyl)-1,3,2-dioxaborinan-5-yl]-2,2-dichloroacetamide
- IUPAC
- N-[2-[3,5-bis(trifluoromethyl)phenyl]-4-(4-nitrophenyl)-1,3,2-dioxaborinan-5-yl]-2,2-dichloroacetamide
Names & synonyms
93489-49-7N-[2-[3,5-bis(trifluoromethyl)phenyl]-4-(4-nitrophenyl)-1,3,2-dioxaborinan-5-yl]-2,2-dichloroacetamideN-{2-[3,5-Bis(trifluoromethyl)phenyl]-4-(4-nitrophenyl)-1,3,2-dioxaborinan-5-yl}-2,2-dichloroacetamideNSC380753DTXSID90321756NSC-380753
Database identifiers
- CAS
93489-49-7- PubChem CID
- 342863
- DTXSID
DTXSID90321756
Properties
Computed structural properties
- Topological polar surface area
- 93.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 4
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 741
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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