| CAS Number | 1083378-91-9 |
| Catalog Number | AG01EH9H(AGN-PC-3H45EK) |
| Chemical Name | Methyl 4-[(Methylsulfamoyl)methyl]benzoate |
| IUPAC Name | methyl 4-(methylsulfamoylmethyl)benzoate |
| InChI | InChI=1S/C10H13NO4S/c1-11-16(13,14)7-8-3-5-9(6-4-8)10(12)15-2/h3-6,11H,7H2,1-2H3 |
| InChI Key | PGHFIWZSEIJVEG-UHFFFAOYSA-N |
| MDL Number | MFCD11649759 |
| Molecular Formula | C10H13NO4S |
| Molecular Weight | 243.2795 |
| SMILES | CNS(CC1=CC=C(C(OC)=O)C=C1)(=O)=O |
| Synonyms | methyl 4-[(methylsulfamoyl)methyl]benzoate,
1083378-91-9,
STL253429,
ZINC20455957,
AKOS005134038,
MCULE-2749409134,
methyl 4-{[(methylamino)sulfonyl]methyl}benzoate,
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| Complexity | 325 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 243.057g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 243.277g/mol |
| Monoisotopic Mass | 243.057g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 80.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.7 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number