6-Fluoro-2,3-dihydro-4h-thiochromen-4-one 1,1-dioxide - CAS 21243-22-1
Catalog: |
BB065048 |
Product Name: |
6-Fluoro-2,3-dihydro-4h-thiochromen-4-one 1,1-dioxide |
CAS: |
21243-22-1 |
Synonyms: |
6-fluoro-1,1-dioxo-2,3-dihydrothiochromen-4-one; 6-fluoro-2,3-dihydro-4H-thiochromen-4-one 1,1-dioxide |
IUPAC Name: | 6-fluoro-1,1-dioxo-2,3-dihydrothiochromen-4-one |
Description: | 6-Fluoro-2,3-dihydro-4h-thiochromen-4-one 1,1-dioxide |
Molecular Weight: | 214.21 |
Molecular Formula: | C9H7FO3S |
Canonical SMILES: | C1CS(=O)(=O)C2=C(C1=O)C=C(C=C2)F |
InChI: | InChI=1S/C9H7FO3S/c10-6-1-2-9-7(5-6)8(11)3-4-14(9,12)13/h1-2,5H,3-4H2 |
InChI Key: | YAULHFQMJFXBNM-UHFFFAOYSA-N |
Complexity: | 344 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 214.00999342 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 214.00999342 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 59.6Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.7 |
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