| CAS Number | 1310404-79-5 |
| Catalog Number | AG00HSC5(AGN-PC-0WAY4R) |
| Chemical Name | 4,4,6-Trimethyl-2-(3-methylphenyl)-1,3,2-dioxaborinane |
| IUPAC Name | 4,4,6-trimethyl-2-(3-methylphenyl)-1,3,2-dioxaborinane |
| InChI | InChI=1S/C13H19BO2/c1-10-6-5-7-12(8-10)14-15-11(2)9-13(3,4)16-14/h5-8,11H,9H2,1-4H3 |
| InChI Key | PYYVQRSUPLUHSL-UHFFFAOYSA-N |
| MDL Number | MFCD08436973 |
| Molecular Formula | C13H19BO2 |
| Molecular Weight | 218.0998 |
| SMILES | O1(C(CC(C)OB1C2(=CC(=CC=C2)C))(C)C) |
| Synonyms | 1310404-79-5,
4,4,6-trimethyl-2-(3-methylphenyl)-1,3,2-dioxaborinane,
2-(3-Methylphenyl)-4,4,6-trimethyl-1,3,2-dioxaborinane,
AMTB982,
ZX-AT029559,
MFCD08436973,
AKOS025403459,
AS-3032,
OR14179,
KS-000022M8,
C13H19BO2,
3-Tolylboronic acid hexylene glycol cyclic ester,
|
| Complexity | 242 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 218.148g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 218.103g/mol |
| Monoisotopic Mass | 218.148g/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