7-methyl-2-phenyl-4H-1,3,2-benzodioxaborinine
Basic information
- CAS
59648-19-0- Standard SMILES
Cc1ccc2c(c1)OB(c1ccccc1)OC2- InChIKey
IGRYFQMHBYSDGB-UHFFFAOYSA-N- Molecular formula
- C14H13BO2
- Average molar mass
- 224.06 g/mol
- Monoisotopic mass
- 224.1008598
Names & identifiers
- Preferred name
- 7-methyl-2-phenyl-4H-1,3,2-benzodioxaborinine
- IUPAC
- 7-methyl-2-phenyl-4H-1,3,2-benzodioxaborinine
- English name
- 4H-1,3,2-Benzodioxaborin,7-methyl-2-phenyl-(9CI)
- Molecular formula
- C14H13BO2
- Molecular weight
- 224.06
Names & synonyms
SCHEMBL125992234H-1,3,2-Benzodioxaborin, 7-methyl-2-phenyl-4H-1,3,2-Benzodioxaborin,7-methyl-2-phenyl-(9CI)
Database identifiers
- CAS
59648-19-0- PubChem CID
- 12489744
Properties
Computed structural properties
- Topological polar surface area
- 18.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 253
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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