| CAS Number | 1309676-48-9 |
| Catalog Number | AG00HSAW(AGN-PC-0WAY3H) |
| Chemical Name | 4-(6-Methyl-4,8-dioxo-1,3,6,2-dioxazaborocan-2-yl)thiophene-2-carbaldehyde |
| IUPAC Name | 4-(6-methyl-4,8-dioxo-1,3,6,2-dioxazaborocan-2-yl)thiophene-2-carbaldehyde |
| InChI | InChI=1S/C10H10BNO5S/c1-12-3-9(14)16-11(17-10(15)4-12)7-2-8(5-13)18-6-7/h2,5-6H,3-4H2,1H3 |
| InChI Key | MFALZRFHNJUEMB-UHFFFAOYSA-N |
| MDL Number | MFCD27980600 |
| Molecular Formula | C10H10BNO5S |
| Molecular Weight | 267.0661 |
| SMILES | S1(C(=CC(=C1)B2(OC(=O)CN(C)CC(O2)=O))C=O) |
| Synonyms | 4-(6-methyl-4,8-dioxo-1,3,6,2-dioxazaborocan-2-yl)thiophene-2-carbaldehyde,
1309676-48-9,
AMTB852,
MFCD27980600,
AKOS027263877,
ZINC169810752,
AS-2890,
KS-000022J8,
OR310582,
C10H10BNO5S,
|
| Complexity | 346 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 267.037g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 267.062g/mol |
| Monoisotopic Mass | 267.037g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 101A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number