| CAS Number | 1092060-78-0 |
| Catalog Number | AG00HBAT(AGN-PC-0WAY4K) |
| Chemical Name | 2-(4-Bromophenyl)-4,4,6-trimethyl-1,3,2-dioxaborinane |
| IUPAC Name | 2-(4-bromophenyl)-4,4,6-trimethyl-1,3,2-dioxaborinane |
| InChI | InChI=1S/C12H16BBrO2/c1-9-8-12(2,3)16-13(15-9)10-4-6-11(14)7-5-10/h4-7,9H,8H2,1-3H3 |
| InChI Key | PRUASQKAECKLGK-UHFFFAOYSA-N |
| MDL Number | MFCD28101506 |
| Molecular Formula | C12H16BBrO2 |
| Molecular Weight | 282.9692 |
| SMILES | [Br]C2(=CC=C(B1(OC(CC(O1)C)(C)C))C=C2) |
| Synonyms | 2-(4-bromophenyl)-4,4,6-trimethyl-1,3,2-dioxaborinane,
1092060-78-0,
KS-000022LY,
MFCD28101506,
AKOS027384718,
AS-3022,
OR310866,
|
| Complexity | 239 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 282.043g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 282.972g/mol |
| Monoisotopic Mass | 282.043g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 18.5A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number