| CAS Number | 1831152-32-9 |
| Catalog Number | AG00MCE3(AGN-PC-3H4572) |
| Chemical Name | 1-[3-(tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1H-pyrrole |
| IUPAC Name | 1-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyrrole |
| InChI | InChI=1S/C16H20BNO2/c1-15(2)16(3,4)20-17(19-15)13-8-7-9-14(12-13)18-10-5-6-11-18/h5-12H,1-4H3 |
| InChI Key | XLPMAGPPJYOVHQ-UHFFFAOYSA-N |
| MDL Number | MFCD28054541 |
| Molecular Formula | C16H20BNO2 |
| Molecular Weight | 269.1465 |
| SMILES | CC1(OB(OC1(C)C)C=1C=C(C=CC1)N1C=CC=C1)C |
| Synonyms | 1831152-32-9,
AS-55379,
1-[3-(tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1H-pyrrole,
1-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1H-pyrrole,
|
| Complexity | 336 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 269.159g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 269.151g/mol |
| Monoisotopic Mass | 269.159g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 23.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number