| CAS Number | 1016676-05-3 |
| Catalog Number | AG01DX56 |
| Chemical Name | 4-(Cyclopropylcarbamoyl)benzenesulfonyl chloride |
| IUPAC Name | 4-(cyclopropylcarbamoyl)benzenesulfonyl chloride |
| InChI | InChI=1S/C10H10ClNO3S/c11-16(14,15)9-5-1-7(2-6-9)10(13)12-8-3-4-8/h1-2,5-6,8H,3-4H2,(H,12,13) |
| InChI Key | LZXIZCNYHOOLKX-UHFFFAOYSA-N |
| MDL Number | MFCD09803757 |
| Molecular Formula | C10H10ClNO3S |
| Molecular Weight | 259.7093 |
| SMILES | O=S(C1=CC=C(C(NC2CC2)=O)C=C1)(Cl)=O |
| Synonyms | 4-(CYCLOPROPYLCARBAMOYL)BENZENE-1-SULFONYL CHLORIDE,
1016676-05-3,
CTK7F7331,
AKOS000165574,
|
| Complexity | 364 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 259.007g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 259.704g/mol |
| Monoisotopic Mass | 259.007g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 71.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
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Certificate of Analysis
Lot Number