| CAS Number | 110654-40-5 |
| Catalog Number | AG007UOV(AGN-PC-00GRLY) |
| Chemical Name | Methyl 4-(sulfamoylmethyl)benzoate |
| IUPAC Name | methyl 4-(sulfamoylmethyl)benzoate |
| InChI | InChI=1S/C9H11NO4S/c1-14-9(11)8-4-2-7(3-5-8)6-15(10,12)13/h2-5H,6H2,1H3,(H2,10,12,13) |
| InChI Key | UUHYOFJXOUVLGG-UHFFFAOYSA-N |
| MDL Number | MFCD11649751 |
| Molecular Formula | C9H11NO4S |
| Molecular Weight | 229.2529 |
| SMILES | COC(C1=CC=C(CS(N)(=O)=O)C=C1)=O |
| Synonyms | Methyl 4-(sulfamoylmethyl)benzoate,
110654-40-5,
Benzoic acid, 4-[(aminosulfonyl)methyl]-, methyl ester,
ACMC-20f756,
AC1Q43A1,
CTK0D4605,
DTXSID50473568,
STL253453,
ZINC33359576,
AKOS005134148,
MCULE-5778938105,
NE15247,
methyl 4-[(aminosulfonyl)methyl]benzoate,
4-(Sulfamoylmethyl)benzoic acid methyl ester,
EN300-52331,
CID11817053,
|
| Complexity | 312 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 229.041g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 229.25g/mol |
| Monoisotopic Mass | 229.041g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 94.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.8 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number