| CAS Number | 1340599-91-8 |
| Catalog Number | AG01A8HC(AGN-PC-0WO6E8) |
| Chemical Name | B-(7-Methylbenzo[b]thien-2-yl)boronic acid
|
| IUPAC Name | (7-methyl-1-benzothiophen-2-yl)boronic acid |
| InChI | InChI=1S/C9H9BO2S/c1-6-3-2-4-7-5-8(10(11)12)13-9(6)7/h2-5,11-12H,1H3 |
| InChI Key | VVGBIBABFLRFRZ-UHFFFAOYSA-N |
| MDL Number | MFCD16699454 |
| Molecular Formula | C9H9BO2S |
| Molecular Weight | 192.0426 |
| SMILES | Cc1c2c(cc(B(O)O)s2)ccc1 |
| Synonyms | (7-methyl-1-benzothiophen-2-yl)boronic acid,
1340599-91-8,
SCHEMBL16016897,
AKOS011560667,
ZINC169925471,
NE51355,
(7-methyl-1-benzothiophen-2-yl)boranediol,
EN300-61618,
Z1953497813,
(7-Methylbenzo[b]thiophen-2-yl)boronic acid,
|
| Complexity | 189 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 192.042g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 192.039g/mol |
| Monoisotopic Mass | 192.042g/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
Certificate of Analysis
Lot Number