| CAS Number | 1820590-21-3 |
| Catalog Number | AG00I0FD(AGN-PC-0WOCAZ) |
| Chemical Name | 3-Fluoro-N-methanesulfonylbenzenecarboximidamide |
| IUPAC Name | 3-fluoro-N'-methylsulfonylbenzenecarboximidamide |
| InChI | InChI=1S/C8H9FN2O2S/c1-14(12,13)11-8(10)6-3-2-4-7(9)5-6/h2-5H,1H3,(H2,10,11) |
| InChI Key | ZZBQGQDFHHOKRT-UHFFFAOYSA-N |
| MDL Number | MFCD28014036 |
| Molecular Formula | C8H9FN2O2S |
| Molecular Weight | 216.2327 |
| SMILES | Fc1cccc(c1)C(=N)NS(=O)(=O)C |
| Synonyms | 1820590-21-3,
3-Fluoro-N-(methylsulfonyl)benzimidamide,
3-FLUORO-N-METHANESULFONYLBENZENECARBOXIMIDAMIDE,
ZINC169725159,
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| Complexity | 321 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 216.037g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 216.23g/mol |
| Monoisotopic Mass | 216.037g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 80.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 1 |
| XLogP3 | 0.7 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number