Sodium (2Z)-1,1,1-trifluoro-4-oxo-4-(2-thienyl)-2-buten-2-olate - CAS 1314088-93-1
Catalog: |
BB049063 |
Product Name: |
Sodium (2Z)-1,1,1-trifluoro-4-oxo-4-(2-thienyl)-2-buten-2-olate |
CAS: |
1314088-93-1 |
Synonyms: |
[(Z)-3-Oxo-3-(2-thienyl)-1-(trifluoromethyl)prop-1-enoxy] sodium; Sodium (Z)-1,1,1-trifluoro-4-oxo-4-(thiophen-2-yl)but-2-en-2-olate; (2Z)-4,4,4-trifluoro-3-hydroxy-1-(2-thienyl)but-2-en-1-one sodium salt; 2-Buten-1-one, 4,4,4-trifluoro-3-hydroxy-1-(2-thienyl)-, sodium salt, (2Z)- (1:1) |
IUPAC Name: | sodium;(Z)-1,1,1-trifluoro-4-oxo-4-thiophen-2-ylbut-2-en-2-olate |
Description: | Sodium (2Z)-1,1,1-trifluoro-4-oxo-4-(2-thienyl)-2-buten-2-olate (CAS# 1314088-93-1 ) is a useful research chemical. |
Molecular Weight: | 244.17 |
Molecular Formula: | C8H4F3NaO2S |
Canonical SMILES: | C1=CSC(=C1)C(=O)C=C(C(F)(F)F)[O-].[Na+] |
InChI: | InChI=1S/C8H5F3O2S.Na/c9-8(10,11)7(13)4-5(12)6-2-1-3-14-6;/h1-4,13H;/q;+1/p-1/b7-4-; |
InChI Key: | WLWXXJPQACLTLE-ZULQGGHCSA-M |
Purity: | ≥ 95 % |
Complexity: | 265 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 2 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 1 |
Exact Mass: | 243.97817931 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 243.97817931 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 68.4 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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