alpha-(Trifluoromethyl)-1,3,5-trimethyl-1H-pyrazole-4-methanol - CAS 1250182-67-2
Catalog: |
BB006045 |
Product Name: |
alpha-(Trifluoromethyl)-1,3,5-trimethyl-1H-pyrazole-4-methanol |
CAS: |
1250182-67-2 |
Synonyms: |
2,2,2-trifluoro-1-(1,3,5-trimethyl-4-pyrazolyl)ethanol; 2,2,2-trifluoro-1-(1,3,5-trimethylpyrazol-4-yl)ethanol |
IUPAC Name: | 2,2,2-trifluoro-1-(1,3,5-trimethylpyrazol-4-yl)ethanol |
Description: | alpha-(Trifluoromethyl)-1,3,5-trimethyl-1H-pyrazole-4-methanol (CAS# 1250182-67-2) is a useful research chemical. |
Molecular Weight: | 208.18 |
Molecular Formula: | C8H11F3N2O |
Canonical SMILES: | CC1=C(C(=NN1C)C)C(C(F)(F)F)O |
InChI: | InChI=1S/C8H11F3N2O/c1-4-6(5(2)13(3)12-4)7(14)8(9,10)11/h7,14H,1-3H3 |
InChI Key: | VRIONNHWZSTHSG-UHFFFAOYSA-N |
Complexity: | 209 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 208.08234746 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 208.08234746 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 38 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.3 |
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