| CAS Number | 2096330-02-6 |
| Catalog Number | AG01EHOB |
| Chemical Name | 7-Bromo-2,3-dihydro-1,4-benzodioxine-5-boronic acid |
| IUPAC Name | (7-bromo-2,3-dihydro-1,4-benzodioxin-5-yl)boronic acid |
| InChI | InChI=1S/C8H8BBrO4/c10-5-3-6(9(11)12)8-7(4-5)13-1-2-14-8/h3-4,11-12H,1-2H2 |
| InChI Key | UKEMOTXHAVNTDA-UHFFFAOYSA-N |
| MDL Number | MFCD21332926 |
| Molecular Formula | C8H8BBrO4 |
| Molecular Weight | 258.8617 |
| SMILES | Brc1cc2OCCOc2c(c1)B(O)O |
| Synonyms | 7-Bromo-2,3-dihydro-1,4-benzodioxine-5-boronic acid,
2096330-02-6,
(7-Bromo-2,3-dihydrobenzo[b][1,4]dioxin-5-yl)boronic acid,
MFCD21332926,
AKOS027376583,
ZINC169964641,
Y2884,
B-9555,
C8H8BBrO4,
|
| Complexity | 204 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 257.97g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 258.862g/mol |
| Monoisotopic Mass | 257.97g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 58.9A^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