| CAS Number | 874459-65-1 |
| Catalog Number | AG01DD4A(AGN-PC-0WCSDM) |
| Chemical Name | (3-(N-ISOPROPYLSULFAMOYL)-4-METHOXYPHENYL)BORONIC ACID |
| IUPAC Name | [4-methoxy-3-(propan-2-ylsulfamoyl)phenyl]boronic acid |
| InChI | InChI=1S/C10H16BNO5S/c1-7(2)12-18(15,16)10-6-8(11(13)14)4-5-9(10)17-3/h4-7,12-14H,1-3H3 |
| InChI Key | PXZRYJMVGOLEPD-UHFFFAOYSA-N |
| MDL Number | MFCD28400502 |
| Molecular Formula | C10H16BNO5S |
| Molecular Weight | 273.1137 |
| SMILES | COC1=CC=C(B(O)O)C=C1S(=O)(NC(C)C)=O |
| Synonyms | (3-(N-isopropylsulfamoyl)-4-methoxyphenyl)boronic acid,
874459-65-1,
MFCD28400502,
ZINC230549430,
AM87347,
AS-49584,
|
| Complexity | 354 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 273.084g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 273.11g/mol |
| Monoisotopic Mass | 273.084g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 104A^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