| CAS Number | 1704095-35-1 |
| Catalog Number | AG00ARF5(AGN-PC-0WCSBW) |
| Chemical Name | (5-(N,N-Diethylsulfamoyl)-2-methoxyphenyl)boronic acid |
| IUPAC Name | [5-(diethylsulfamoyl)-2-methoxyphenyl]boronic acid |
| InChI | InChI=1S/C11H18BNO5S/c1-4-13(5-2)19(16,17)9-6-7-11(18-3)10(8-9)12(14)15/h6-8,14-15H,4-5H2,1-3H3 |
| InChI Key | BVUMZSLKWCXUAG-UHFFFAOYSA-N |
| MDL Number | MFCD28400479 |
| Molecular Formula | C11H18BNO5S |
| Molecular Weight | 287.1403 |
| SMILES | CCN(S(=O)(=O)c1ccc(c(c1)B(O)O)OC)CC |
| Synonyms | (5-(N,N-diethylsulfamoyl)-2-methoxyphenyl)boronic acid,
1704095-35-1,
MFCD28400479,
ZINC230550357,
AM88123,
AS-55702,
CS-0061512,
[5-(diethylsulfamoyl)-2-methoxyphenyl]boronic acid,
|
| Complexity | 366 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 287.1g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 287.137g/mol |
| Monoisotopic Mass | 287.1g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 95.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number