| CAS Number | 76503-37-2 |
| Catalog Number | AG019MBJ |
| Chemical Name | 3-Carbamoyl-4-methylbenzenesulfonyl chloride |
| IUPAC Name | 3-carbamoyl-4-methylbenzenesulfonyl chloride |
| InChI | InChI=1S/C8H8ClNO3S/c1-5-2-3-6(14(9,12)13)4-7(5)8(10)11/h2-4H,1H3,(H2,10,11) |
| InChI Key | FUNYLTYTTCGXAP-UHFFFAOYSA-N |
| MDL Number | MFCD09049243 |
| Molecular Formula | C8H8ClNO3S |
| Molecular Weight | 233.6720 |
| SMILES | CC1=C(C(N)=O)C=C(S(Cl)(=O)=O)C=C1 |
| Synonyms | 3-(aminocarbonyl)-4-methylbenzenesulfonyl chloride,
3-carbamoyl-4-methylbenzenesulfonyl chloride,
EN300-35682,
3-carbamoyl-4-methylbenzene-1-sulfonyl chloride,
76503-37-2,
AC1Q2EEE,
CTK7D2601,
AKOS000132992,
ZINC100517669,
BBV-014416,
FCH4677706,
MCULE-8616409302,
NE38816,
|
| Complexity | 322 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 232.991g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 233.666g/mol |
| Monoisotopic Mass | 232.991g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 85.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number