| CAS Number | 1181329-14-5 |
| Catalog Number | AG008TZ4 |
| Chemical Name | 3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)benzoyl chloride |
| IUPAC Name | 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoyl chloride |
| InChI | InChI=1S/C13H16BClO3/c1-12(2)13(3,4)18-14(17-12)10-7-5-6-9(8-10)11(15)16/h5-8H,1-4H3 |
| InChI Key | PYUUKIHBIYIYIF-UHFFFAOYSA-N |
| MDL Number | MFCD20489143 |
| Molecular Formula | C13H16BClO3 |
| Molecular Weight | 266.5283 |
| SMILES | CC1(OB(OC1(C)C)C=1C=C(C(=O)Cl)C=CC1)C |
| Synonyms | 1181329-14-5,
3-(tetramethyl-1,3,2-dioxaborolan-2-yl)benzoyl chloride,
3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoyl chloride,
3-(Chlorocarbonyl)phenylboronic acid, pinacol ester,
SCHEMBL3808416,
PYUUKIHBIYIYIF-UHFFFAOYSA-N,
ZXBA000746,
MFCD20489143,
AKOS015960241,
ZINC202312426,
FCH2848789,
FT-0755402,
|
| Complexity | 327 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 266.088g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 266.528g/mol |
| Monoisotopic Mass | 266.088g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 35.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number