| CAS Number | 874459-70-8 |
| Catalog Number | AG019F00(AGN-PC-0WCSDJ) |
| Chemical Name | (3-(N,N-dimethylsulfamoyl)-4-methoxyphenyl)boronic acid |
| IUPAC Name | [3-(dimethylsulfamoyl)-4-methoxyphenyl]boronic acid |
| InChI | InChI=1S/C9H14BNO5S/c1-11(2)17(14,15)9-6-7(10(12)13)4-5-8(9)16-3/h4-6,12-13H,1-3H3 |
| InChI Key | DLZBEMZKWQBTOM-UHFFFAOYSA-N |
| MDL Number | MFCD28400499 |
| Molecular Formula | C9H14BNO5S |
| Molecular Weight | 259.0872 |
| SMILES | COC1=CC=C(B(O)O)C=C1S(=O)(N(C)C)=O |
| Synonyms | (3-(N,N-dimethylsulfamoyl)-4-methoxyphenyl)boronic acid,
874459-70-8,
MFCD28400499,
ZINC230548921,
AM87350,
AS-55740,
CS-0061718,
N,N-dimethyl 5-borono-2-methoxybenzenesulfonamide,
[3-(dimethylsulfamoyl)-4-methoxyphenyl]boronic acid,
|
| Complexity | 340 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 259.069g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 259.083g/mol |
| Monoisotopic Mass | 259.069g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 95.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number