| CAS Number | 1104637-06-0 |
| Catalog Number | AG01FGN8(AGN-PC-3H5E6F) |
| Chemical Name | 5-(6-Methyl-4,8-dioxo-1,3,6,2-dioxazaborocan-2-yl)thiophene-2-carbaldehyde |
| IUPAC Name | 5-(6-methyl-4,8-dioxo-1,3,6,2-dioxazaborocan-2-yl)thiophene-2-carbaldehyde |
| InChI | InChI=1S/C10H10BNO5S/c1-12-4-9(14)16-11(17-10(15)5-12)8-3-2-7(6-13)18-8/h2-3,6H,4-5H2,1H3 |
| InChI Key | MXOPPZMPYPCZND-UHFFFAOYSA-N |
| MDL Number | MFCD27980601 |
| Molecular Formula | C10H10BNO5S |
| Molecular Weight | 267.0661 |
| SMILES | |
| Synonyms | 5-(6-methyl-4,8-dioxo-1,3,6,2-dioxazaborocan-2-yl)thiophene-2-carbaldehyde,
1309677-06-2,
AMTB848,
MFCD27980601,
AKOS027270164,
ZINC169810750,
AS-2891,
KS-000022J9,
OR310583,
1104637-06-0,
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 |
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Certificate of Analysis
Lot Number