3-Fluoro-N-methanesulfonylbenzenecarboximidamide - CAS 1820590-21-3
Catalog: |
BB065160 |
Product Name: |
3-Fluoro-N-methanesulfonylbenzenecarboximidamide |
CAS: |
1820590-21-3 |
Synonyms: |
3-Fluoro-N-(methylsulfonyl)benzimidamide; 3-FLUORO-N-METHANESULFONYLBENZENECARBOXIMIDAMIDE |
IUPAC Name: | 3-fluoro-N'-methylsulfonylbenzenecarboximidamide |
Description: | 3-Fluoro-N-methanesulfonylbenzenecarboximidamide |
Molecular Weight: | 216.23 |
Molecular Formula: | C8H9FN2O2S |
Canonical SMILES: | CS(=O)(=O)N=C(C1=CC(=CC=C1)F)N |
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 |
Complexity: | 321 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 1 |
Exact Mass: | 216.03687687 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 216.03687687 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 80.9Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.7 |
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