5-Methyl-2,2,5-triphenyl-1,3-dioxa-5-phosphonia-2-boranuidacyclohexane
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Basic information
- CAS
79376-37-7- Standard SMILES
C[P+]1(c2ccccc2)CO[B-](c2ccccc2)(c2ccccc2)OC1- InChIKey
SPMLGFSPVFBEBZ-UHFFFAOYSA-N- Molecular formula
- C21H22BO2P
- Average molar mass
- 348.2 g/mol
- Monoisotopic mass
- 348.1450471
Names & identifiers
- Preferred name
- 5-Methyl-2,2,5-triphenyl-1,3-dioxa-5-phosphonia-2-boranuidacyclohexane
- IUPAC
- 5-methyl-2,2,5-triphenyl-1,3-dioxa-5-phosphonia-2-boranuidacyclohexane
- English name
- Brn 6002807
- Molecular formula
- C21H22BO2P
- Molecular weight
- 348.188
Names & synonyms
Brn 6002807(T-4)-(Bis(hydroxymethyl)methylphenylphosphoniumato(2-)-o,o')diphenylboronBoron, (bis(hydroxymethyl)methylphenylphosphoniumato(2-)-o,o')diphenyl-, (T-4)-
Database identifiers
- CAS
79376-37-7- PubChem CID
- 2783795
Properties
Computed structural propertiesFilling in
- Topological polar surface area
- 18.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 398
Physicochemical properties
- EWG's Food Scores
- 1 · 1
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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