| CAS Number | 1310383-30-2 |
| Catalog Number | AG009FV8(AGN-PC-0WR0OM) |
| Chemical Name | (3-(Methoxycarbonyl)thiophen-2-yl)boronic acid |
| IUPAC Name | (3-methoxycarbonylthiophen-2-yl)boronic acid |
| InChI | InChI=1S/C6H7BO4S/c1-11-6(8)4-2-3-12-5(4)7(9)10/h2-3,9-10H,1H3 |
| InChI Key | OCLHCOLQTGDYLB-UHFFFAOYSA-N |
| MDL Number | MFCD26142700 |
| Molecular Formula | C6H7BO4S |
| Molecular Weight | 185.9934 |
| SMILES | COC(=O)C1=C(SC=C1)B(O)O |
| Synonyms | 3-(Methoxycarbonyl)thiophene-2-boronic acid,
1310383-30-2,
(3-(Methoxycarbonyl)thiophen-2-yl)boronic acid,
SCHEMBL14645263,
ZINC199177247,
C-0365,
|
| Complexity | 175 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 186.016g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 185.988g/mol |
| Monoisotopic Mass | 186.016g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 95A^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