| CAS Number | 943552-31-6 |
| Catalog Number | AG003MI0(AGN-PC-0WG526) |
| Chemical Name | 5-Bromo-2-thiophenylboronic acid mida ester |
| IUPAC Name | 2-(5-bromothiophen-2-yl)-6-methyl-1,3,6,2-dioxazaborocane-4,8-dione |
| InChI | InChI=1S/C9H9BBrNO4S/c1-12-4-8(13)15-10(16-9(14)5-12)6-2-3-7(11)17-6/h2-3H,4-5H2,1H3 |
| InChI Key | IHKDTCFWTZPRTA-UHFFFAOYSA-N |
| MDL Number | MFCD11215240 |
| Molecular Formula | C9H9BBrNO4S |
| Molecular Weight | 317.9521 |
| SMILES | CN1CC(OB(C2=CC=C(S2)Br)OC(C1)=O)=O |
| Synonyms | 5-Bromo-2-thiophenylboronic acid MIDA ester,
943552-31-6,
2-(5-Bromothiophen-2-yl)-6-methyl-1,3,6,2-dioxazaborocane-4,8-dione,
SCHEMBL13369938,
DTXSID00678940,
AKOS005166807,
ZINC170161864,
ACN-026681,
5-Bromothiophene-2-boronic acid MIDA ester,
5-Bromo-2-thiophenylboronic acid MIDA ester, 95%,
2-(5-Bromo-2-thienyl)-6-methyl-1,3-dioxa-2-bora-6-azacyclooctane-4,8-dione,
1257648-35-3,
|
| Complexity | 312 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 316.953g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 317.948g/mol |
| Monoisotopic Mass | 316.953g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 84.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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