In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 27th, 2004 | 12 | Yes |
Popular Name: 1-Ethynyl-2-(trifluoromethyl)benzene 1-Ethynyl-2-(trifluoromethyl)ben…
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CAS Numbers: 704-41-6 , 704-46-1 , [704-41-6]
2'-Trifluoromethylphenyl acetylene
2-(Trifluoromethyl)phenylacetylene
2-(Trifluoromethyl)phenylacetylene 98%
2-(Trifluoromethyl)phenylacetylene, 97%
2-Ethynyl-?,?,?-trifluorotoluene
2-Ethynyl-alpha,alpha,alpha-trifluorotoluene
Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
---|---|---|---|---|---|---|---|---|---|---|
Ref Reference (pH 7) | 2.55 | 6.56 | -6.09 | 0 | 0 | 0 | 0 | 170.133 | 1 | ↓ |
Note Type | Comments | Provided By |
---|---|---|
Boiling_Point | 45?/8mm | Alfa-Aesar |
Boiling_Point | 45°/8mm | Alfa-Aesar |
Purity | 98% | Fluorochem |
No pre-computed analogs available. Try a structural similarity search.