| CAS Number | 1097921-73-7 |
| Catalog Number | AG01BKFE |
| Chemical Name | 2-(Cyclopropanesulfonyl)aniline |
| IUPAC Name | 2-cyclopropylsulfonylaniline |
| InChI | InChI=1S/C9H11NO2S/c10-8-3-1-2-4-9(8)13(11,12)7-5-6-7/h1-4,7H,5-6,10H2 |
| InChI Key | JOVGCDJBUVAZEU-UHFFFAOYSA-N |
| MDL Number | MFCD24643543 |
| Molecular Formula | C9H11NO2S |
| Molecular Weight | 197.2541 |
| SMILES | NC1=C(S(C2CC2)(=O)=O)C=CC=C1 |
| Synonyms | 2-(Cyclopropanesulfonyl)aniline,
1097921-73-7,
SCHEMBL13380519,
AKOS024071324,
ZINC201140747,
|
| Complexity | 277 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 197.051g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 197.252g/mol |
| Monoisotopic Mass | 197.051g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 68.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.4 |
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Certificate of Analysis
Lot Number