Basic information
- CAS
1072812-57-7- Standard SMILES
Cc1cccc2cc(B3OC(C)(C)C(C)(C)O3)oc12- InChIKey
OVINLUCADNOQQL-UHFFFAOYSA-N- Molecular formula
- C15H19BO3
- Average molar mass
- 258.12 g/mol
- Monoisotopic mass
- 258.14272487
Names & identifiers
- Preferred name
- 4,4,5,5-Tetramethyl-2-(7-methylbenzofuran-2-yl)-1,3,2-dioxaborolane
- IUPAC
- 4,4,5,5-tetramethyl-2-(7-methyl-1-benzofuran-2-yl)-1,3,2-dioxaborolane
- English name
- (7-Methylbenzofuran-2-yl)boronic acid pinacol ester
- Molecular formula
- C15H19BO3
- Molecular weight
- 258.12
Names & synonyms
1072812-57-74,4,5,5-Tetramethyl-2-(7-methylbenzofuran-2-yl)-1,3,2-dioxaborolane4,4,5,5-tetramethyl-2-(7-methyl-1-benzofuran-2-yl)-1,3,2-dioxaborolane7-Methyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzofuranSCHEMBL594209(7-METHYLBENZOFURAN-2-YL)BORONIC ACID PINACOL ESTEROVINLUCADNOQQL-UHFFFAOYSA-NDTXSID801165475DB-1975027-Methyl-2-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-benzofuran7-Methyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-benzofuranBenzofuran, 7-methyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-
Database identifiers
- CAS
1072812-57-7- PubChem CID
- 59133147
- DTXSID
DTXSID801165475
Properties
Computed structural properties
- Topological polar surface area
- 31.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 339
Physicochemical properties
- Boiling point
- 358.1 · 358.1±22.0 °C(Predicted)
- Density
- 1.08 · 1.08±0.1 g/cm3(Predicted)
Chemistry & industry
Suppliers2 total
Jilin Chinese Academy of Sciences-yanshen Technology18143011203 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
Related reactions
9 records
Compound notes
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