Basic information
- CAS
775351-55-8- Standard SMILES
COc1ccc(B2OC(C)(C)C(C)(C)O2)cc1CC#N- InChIKey
PZTLNFIMQWQLBK-UHFFFAOYSA-N- Molecular formula
- C15H20BNO3
- Average molar mass
- 273.14 g/mol
- Monoisotopic mass
- 273.1536237
Names & identifiers
- Preferred name
- 2-(2-Methoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-YL)phenyl)acetonitrile
- IUPAC
- 2-[2-methoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]acetonitrile
Names & synonyms
775351-55-82-(2-METHOXY-5-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)PHENYL)ACETONITRILEBENZENEACETONITRILE, 2-METHOXY-5-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-2-[2-methoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]acetonitrileSCHEMBL12326735DTXSID701142264AT11061MB20555[2-Methoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]acetonitrile2-Methoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzeneacetonitrile
Database identifiers
- CAS
775351-55-8- PubChem CID
- 59535002
- DTXSID
DTXSID701142264
Properties
Computed structural properties
- Topological polar surface area
- 51.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 385
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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