| CAS Number | 654682-86-7 |
| Catalog Number | AG00VWPD(AGN-PC-033OFA) |
| Chemical Name | 4-(morpholine-4-sulfonyl)benzoyl chloride |
| IUPAC Name | 4-morpholin-4-ylsulfonylbenzoyl chloride |
| InChI | InChI=1S/C11H12ClNO4S/c12-11(14)9-1-3-10(4-2-9)18(15,16)13-5-7-17-8-6-13/h1-4H,5-8H2 |
| InChI Key | UKILBGHYXVLCGS-UHFFFAOYSA-N |
| MDL Number | MFCD09702532 |
| Molecular Formula | C11H12ClNO4S |
| Molecular Weight | 289.7353 |
| SMILES | O=C(Cl)C1=CC=C(S(=O)(N2CCOCC2)=O)C=C1 |
| Synonyms | 4-(Morpholine-4-sulfonyl)-benzoyl chloride,
654682-86-7,
4-(morpholine-4-sulfonyl)benzoyl chloride,
SCHEMBL6201042,
ZINC11848444,
AKOS000114234,
MCULE-9245330419,
4-(4-Morpholinylsulfonyl)benzoyl chloride,
BB 0237928,
L-4623,
F2146-0386,
|
| Complexity | 392 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 289.018g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 289.73g/mol |
| Monoisotopic Mass | 289.018g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 72.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number