4,4-Difluoro-1-[2-thienyl]-butane-1,3-dione - CAS 76629-94-2
Catalog: |
BB045610 |
Product Name: |
4,4-Difluoro-1-[2-thienyl]-butane-1,3-dione |
CAS: |
76629-94-2 |
Synonyms: |
1,1-difluoro-4-(2-thienyl)butane-2,4-dione; 1-(2-Thienyl)-4,4-difluorobutane-1,3-dione |
IUPAC Name: | 4,4-difluoro-1-thiophen-2-ylbutane-1,3-dione |
Description: | 4,4-Difluoro-1-[2-thienyl]-butane-1,3-dione (CAS# 76629-94-2 ) is a useful research chemical. |
Molecular Weight: | 204.20 |
Molecular Formula: | C8H6F2O2S |
Canonical SMILES: | C1=CSC(=C1)C(=O)CC(=O)C(F)F |
InChI: | InChI=1S/C8H6F2O2S/c9-8(10)6(12)4-5(11)7-2-1-3-13-7/h1-3,8H,4H2 |
InChI Key: | BYASAUCNBVCUOY-UHFFFAOYSA-N |
Complexity: | 218 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 204.00565693 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 204.00565693 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 62.4 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2 |
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