5,7-ditert-butyl-2-fluoro-2,2-diphenyl-3H-1,3,2lambda5-benzoxazaphosphole
Basic information
- CAS
60485-04-3- Standard SMILES
CC(C)(C)c1cc2c(c(C(C)(C)C)c1)OP(F)(c1ccccc1)(c1ccccc1)N2- InChIKey
PWADOCWFYDFHBB-UHFFFAOYSA-N- Molecular formula
- C26H31FNOP
- Average molar mass
- 423.5 g/mol
- Monoisotopic mass
- 423.21272977
Names & identifiers
- Preferred name
- 5,7-ditert-butyl-2-fluoro-2,2-diphenyl-3H-1,3,2lambda5-benzoxazaphosphole
- IUPAC
- 5,7-ditert-butyl-2-fluoro-2,2-diphenyl-3H-1,3,2λ5-benzoxazaphosphole
Names & synonyms
NSC28509960485-04-3DTXSID20314530NSC-2850995,7-Di-tert-butyl-2-fluoro-2,2-diphenyl-2,3-dihydro-1,3,2lambda~5~-benzoxazaphosphole
Database identifiers
- CAS
60485-04-3- PubChem CID
- 323588
- DTXSID
DTXSID20314530
Properties
Computed structural properties
- XLogP
- 8.8
- Topological polar surface area
- 21.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 594
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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