3-Hydroxy-5-(trifluoromethyl)-2,3-dihydrobenzothiophene 1,1-Dioxide - CAS 2070896-47-6
Catalog: |
BB016184 |
Product Name: |
3-Hydroxy-5-(trifluoromethyl)-2,3-dihydrobenzothiophene 1,1-Dioxide |
CAS: |
2070896-47-6 |
Synonyms: |
1,1-dioxo-5-(trifluoromethyl)-2,3-dihydro-1-benzothiophen-3-ol; 1,1-dioxo-5-(trifluoromethyl)-2,3-dihydro-1-benzothiophen-3-ol |
IUPAC Name: | 1,1-dioxo-5-(trifluoromethyl)-2,3-dihydro-1-benzothiophen-3-ol |
Description: | 3-Hydroxy-5-(trifluoromethyl)-2,3-dihydrobenzothiophene 1,1-Dioxide (CAS# 2070896-47-6 ) is a useful research chemical. |
Molecular Weight: | 252.21 |
Molecular Formula: | C9H7F3O3S |
Canonical SMILES: | C1C(C2=C(S1(=O)=O)C=CC(=C2)C(F)(F)F)O |
InChI: | InChI=1S/C9H7F3O3S/c10-9(11,12)5-1-2-8-6(3-5)7(13)4-16(8,14)15/h1-3,7,13H,4H2 |
InChI Key: | ZDKNTCGWIWXAPH-UHFFFAOYSA-N |
Complexity: | 370 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 252.00679974 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 252.00679974 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 62.8 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1 |
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