| CAS Number | 848290-18-6 |
| Catalog Number | AG00G3UU |
| Chemical Name | 4-chloro-3-[methoxy(methyl)sulfamoyl]benzoic acid |
| IUPAC Name | 4-chloro-3-[methoxy(methyl)sulfamoyl]benzoic acid |
| InChI | InChI=1S/C9H10ClNO5S/c1-11(16-2)17(14,15)8-5-6(9(12)13)3-4-7(8)10/h3-5H,1-2H3,(H,12,13) |
| InChI Key | HWTKERCANIFNSG-UHFFFAOYSA-N |
| MDL Number | MFCD09998878 |
| Molecular Formula | C9H10ClNO5S |
| Molecular Weight | 279.6974 |
| SMILES | O=C(O)C1=CC=C(Cl)C(S(=O)(N(OC)C)=O)=C1 |
| Synonyms | 4-chloro-3-[methoxy(methyl)sulfamoyl]benzoic acid,
848290-18-6,
4-chloro-3-{[methoxy(methyl)amino]sulfonyl}benzoic acid,
4-chloro-3-[[methoxy(methyl)amino]sulfonyl]benzoic acid,
AC1NLQSM,
AC1Q4GE2,
CTK7B4191,
ZINC4206807,
AKOS008999727,
MCULE-6515035834,
NE27037,
EN300-13620,
SR-01000071641,
J-514996,
SR-01000071641-1,
Z89357790,
CID4962542,
4-chloro-3-(methoxy-methyl-sulfamoyl)benzoic Acid,
|
| Complexity | 379 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 278.997g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 279.691g/mol |
| Monoisotopic Mass | 278.997g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 92.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number