Tris(3-chlorophenyl)boroxin
Basic information
- CAS
7519-92-8- Standard SMILES
Clc1cccc(B2OB(c3cccc(Cl)c3)OB(c3cccc(Cl)c3)O2)c1- InChIKey
DCTBSOZQJIBCFX-UHFFFAOYSA-N- Molecular formula
- C18H12B3Cl3O3
- Average molar mass
- 415.1 g/mol
- Monoisotopic mass
- 414.013118
Names & identifiers
- Preferred name
- Tris(3-chlorophenyl)boroxin
- IUPAC
- 2,4,6-tris(3-chlorophenyl)-1,3,5,2,4,6-trioxatriborinane
Names & synonyms
Tris(3-chlorophenyl)boroxin7519-92-8RefChem:386643SCHEMBL78586382,4,6-tris(3-chlorophenyl)-1,3,5,2,4,6-trioxatriborinaneDTXSID201310082
Database identifiers
- CAS
7519-92-8- PubChem CID
- 11235367
- DTXSID
DTXSID201310082- Nikkaji
- J1.957.669H
Properties
Computed structural properties
- Topological polar surface area
- 27.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 413
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Compound notes
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