| CAS Number | 1031130-80-9 |
| Catalog Number | AG019L4R |
| Chemical Name | methyl 2-chloro-5-(dimethylsulfamoyl)benzoate |
| IUPAC Name | methyl 2-chloro-5-(dimethylsulfamoyl)benzoate |
| InChI | InChI=1S/C10H12ClNO4S/c1-12(2)17(14,15)7-4-5-9(11)8(6-7)10(13)16-3/h4-6H,1-3H3 |
| InChI Key | OTRHSDALQYFFIV-UHFFFAOYSA-N |
| MDL Number | MFCD09971348 |
| Molecular Formula | C10H12ClNO4S |
| Molecular Weight | 277.7246 |
| SMILES | COC(C1=C(Cl)C=CC(S(N(C)C)(=O)=O)=C1)=O |
| Synonyms | methyl 2-chloro-5-(dimethylsulfamoyl)benzoate,
methyl 2-chloro-5-[(dimethylamino)sulfonyl]benzoate,
1031130-80-9,
AC1OUT29,
AC1Q42FJ,
CTK6I9214,
ZINC6099732,
AKOS030739432,
MCULE-7141270336,
NE14702,
EN300-29842,
ZINC06099732,
CID7878754,
|
| Complexity | 376 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 277.018g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 277.719g/mol |
| Monoisotopic Mass | 277.018g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 72.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number