| CAS Number | 452914-21-5 |
| Catalog Number | AG00J0HT(AGN-PC-0WAY3T) |
| Chemical Name | 2-(4-Butoxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane |
| IUPAC Name | 2-(4-butoxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane |
| InChI | InChI=1S/C16H25BO3/c1-6-7-12-18-14-10-8-13(9-11-14)17-19-15(2,3)16(4,5)20-17/h8-11H,6-7,12H2,1-5H3 |
| InChI Key | VJLYRKSJEHDMPS-UHFFFAOYSA-N |
| MDL Number | MFCD22494805 |
| Molecular Formula | C16H25BO3 |
| Molecular Weight | 276.1789 |
| SMILES | CCCCOC1=CC=C(B2OC(C)(C)C(C)(C)O2)C=C1 |
| Synonyms | 2-(4-butoxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane,
452914-21-5,
SCHEMBL14302548,
KS-000022JR,
MFCD22494805,
AKOS018218700,
ZINC169985705,
AS-2912,
4-Butoxyphenylboronic acid pinacol ester,
|
| Complexity | 293 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 276.19g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 276.183g/mol |
| Monoisotopic Mass | 276.19g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 27.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number