5-(Trifluoromethyl)thiophene-3-carbaldehyde - CAS 96518-84-2
Catalog: |
BB041985 |
Product Name: |
5-(Trifluoromethyl)thiophene-3-carbaldehyde |
CAS: |
96518-84-2 |
Synonyms: |
5-(trifluoromethyl)-3-thiophenecarboxaldehyde; 5-(trifluoromethyl)thiophene-3-carbaldehyde |
IUPAC Name: | 5-(trifluoromethyl)thiophene-3-carbaldehyde |
Description: | 5-(Trifluoromethyl)thiophene-3-carbaldehyde (CAS# 96518-84-2) is a useful research chemical. |
Molecular Weight: | 180.15 |
Molecular Formula: | C6H3F3OS |
Canonical SMILES: | C1=C(SC=C1C=O)C(F)(F)F |
InChI: | InChI=1S/C6H3F3OS/c7-6(8,9)5-1-4(2-10)3-11-5/h1-3H |
InChI Key: | BBSMPLJHWLTFIH-UHFFFAOYSA-N |
Boiling Point: | 76-80 ℃ (10 mmHg) |
Density: | 1.451±0.06 g/cm3 (20 ℃. 760 mmH g) |
LogP: | 2.57940 |
Publication Number | Title | Priority Date |
AU-2018377976-A1 | New piperidinyl derivatives as inhibitors of ubiquitin specific protease 7 | 20171129 |
WO-2019105963-A1 | New piperidinyl derivatives as inhibitors of ubiquitin specific protease 7 | 20171129 |
BR-112020010547-A2 | piperidinyl derivatives as ubiquitin-specific protease 7 inhibitors | 20171129 |
CA-3083320-A1 | Piperidinyl derivatives as inhibitors of ubiquitin specific protease 7 | 20171129 |
EP-3717482-A1 | New piperidinyl derivatives as inhibitors of ubiquitin specific protease 7 | 20171129 |
Complexity: | 156 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 179.98567037 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 179.98567037 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 45.3 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2 |
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