| CAS Number | 1351859-39-6 |
| Catalog Number | AG007ZOW(AGN-PC-0WA8AI) |
| Chemical Name | 3-Bromo-5-methylthiophene-2-boronic acid |
| IUPAC Name | (3-bromo-5-methylthiophen-2-yl)boronic acid |
| InChI | InChI=1S/C5H6BBrO2S/c1-3-2-4(7)5(10-3)6(8)9/h2,8-9H,1H3 |
| InChI Key | MJENRTSJWSKNLP-UHFFFAOYSA-N |
| MDL Number | MFCD18311829 |
| Molecular Formula | C5H6BBrO2S |
| Molecular Weight | 220.8799 |
| SMILES | BrC1=C(SC(=C1)C)B(O)O |
| Synonyms | 3-BROMO-5-METHYLTHIOPHENE-2-BORONIC ACID,
1351859-39-6,
(3-bromo-5-methylthiophen-2-yl)boronic acid,
ACMC-209by5,
CTK8B0277,
DTXSID30681705,
ANW-19755,
MFCD18311829,
AKOS025293555,
ZINC169934522,
FCH1366830,
OR360803,
TC-108500,
Z9844,
A-4738,
C5H6BBrO2S,
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| Complexity | 124 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 219.936g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 220.875g/mol |
| Monoisotopic Mass | 219.936g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 68.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number