| CAS Number | 1099052-48-8 |
| Catalog Number | AG019KVU |
| Chemical Name | Methyl 2-fluoro-5-sulfamoylbenzoate |
| IUPAC Name | methyl 2-fluoro-5-sulfamoylbenzoate |
| InChI | InChI=1S/C8H8FNO4S/c1-14-8(11)6-4-5(15(10,12)13)2-3-7(6)9/h2-4H,1H3,(H2,10,12,13) |
| InChI Key | WNDPEZPNAUBWAD-UHFFFAOYSA-N |
| MDL Number | MFCD11649977 |
| Molecular Formula | C8H8FNO4S |
| Molecular Weight | 233.2168 |
| SMILES | COC(C1=C(F)C=CC(S(N)(=O)=O)=C1)=O |
| Synonyms | methyl 2-fluoro-5-sulfamoylbenzoate,
1099052-48-8,
AC1Q42GK,
SCHEMBL3362967,
CTK6I9219,
WNDPEZPNAUBWAD-UHFFFAOYSA-N,
ZINC37466889,
AKOS007963451,
MCULE-1281602460,
NE24461,
EN300-28735,
|
| Complexity | 337 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 233.016g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 233.213g/mol |
| Monoisotopic Mass | 233.016g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 94.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number