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Basic information
- Standard SMILES
OB1OC(CF)(CF)c2cc(C3=NOC(c4cc(Cl)c(Cl)c(Cl)c4)(C(F)(F)F)C3)ccc21- InChIKey
XRIPVWAZOPWGIV-UHFFFAOYSA-N- Molecular formula
- C19H12BCl3F5NO3
- Average molar mass
- 514.5 g/mol
Names & identifiers
- Preferred name
- 3,3-bis(fluoromethyl)-5-(5-(3,4,5-trichlorophenyl)-5-(trifluoromethyl)-4,5-dihydro-isoxazol-3-yl)benzo[c][1,2]oxaborol-1(3H)-ol
- IUPAC
- 3-[3,3-bis(fluoromethyl)-1-hydroxy-2,1-benzoxaborol-5-yl]-5-(3,4,5-trichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazole
Names & synonyms
3,3-bis(fluoromethyl)-5-(5-(3,4,5-trichlorophenyl)-5-(trifluoromethyl)-4,5-dihydro-isoxazol-3-yl)benzo[c][1,2]oxaborol-1(3H)-olSCHEMBL14955835
Database identifiers
- PubChem CID
- 71572011
Properties
Computed structural propertiesFilling in
- Topological polar surface area
- 51.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 4
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 733
Related reactions
2 records
Compound notes
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