| CAS Number | 1604722-27-1 |
| Catalog Number | AG01FGN7(AGN-PC-3H5E6M) |
| Chemical Name | 6-Methyl-2-(thiophen-3-yl)-1,3,6,2-dioxazaborocane-4,8-dione |
| IUPAC Name | 6-methyl-2-thiophen-3-yl-1,3,6,2-dioxazaborocane-4,8-dione |
| InChI | InChI=1S/C9H10BNO4S/c1-11-4-8(12)14-10(15-9(13)5-11)7-2-3-16-6-7/h2-3,6H,4-5H2,1H3 |
| InChI Key | ILNTYUDRQBOSQR-UHFFFAOYSA-N |
| MDL Number | MFCD27980597 |
| Molecular Formula | C9H10BNO4S |
| Molecular Weight | 239.0560 |
| SMILES | B1(OC(=O)CN(CC(=O)O1)C)C2=CSC=C2 |
| Synonyms | 6-methyl-2-(thiophen-3-yl)-1,3,6,2-dioxazaborocane-4,8-dione,
1356166-65-8,
C9H10BNO4S,
AMTB840,
MFCD27980597,
Thiophene-3-boronic acid MIDA ester,
AKOS027282791,
ZINC169810748,
AS-2884,
KS-000022J3,
OR310577,
Thiophene-3-boronic acid MIDA ester, 97%,
1604722-27-1,
|
| Complexity | 281 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 239.042g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 239.052g/mol |
| Monoisotopic Mass | 239.042g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 84.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number