Basic information
- Standard SMILES
CCOC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1OC- InChIKey
HEZFZAFYFAUWCN-UHFFFAOYSA-N- Molecular formula
- C16H23BO5
- Average molar mass
- 306.2 g/mol
- Monoisotopic mass
- 306.163854
Names & identifiers
- Preferred name
- Ethyl 2-methoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate
- IUPAC
- ethyl 2-methoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate
Names & synonyms
SCHEMBL5064664HEZFZAFYFAUWCN-UHFFFAOYSA-NDB-112091ethyl 2-methoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate911312-75-9
Database identifiers
- PubChem CID
- 69298620
Properties
Computed structural properties
- Topological polar surface area
- 54 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 393
Related reactions
1 records
Compound notes
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