Basic information
- Standard SMILES
CC1(C)OB(/C=C2\c3ccccc3COc3cc(F)ccc32)OC1(C)C- InChIKey
ULKZECNDTHFDTC-LDADJPATSA-N- Molecular formula
- C21H22BFO3
- Average molar mass
- 352.2 g/mol
- Monoisotopic mass
- 352.1646029
Names & identifiers
- Preferred name
- (E)-2-((3-fluorodibenzo[b,e]oxepin-11(6H)-ylidene)methyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
- IUPAC
- 2-[(E)-(3-fluoro-6H-benzo[c][1]benzoxepin-11-ylidene)methyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
Names & synonyms
SCHEMBL2255132ULKZECNDTHFDTC-LDADJPATSA-N(E)-2-((3-fluorodibenzo[b,e]oxepin-11 (6H)-ylidene)methyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane(E)-2-((3-fluorodibenzo[b,e]oxepin-11(6H)-ylidene)methyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
Database identifiers
- PubChem CID
- 57748738
Properties
Computed structural properties
- Topological polar surface area
- 27.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 545
Related reactions
2 records
Compound notes
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