(1-Methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl)methanol - CAS 949898-58-2
Catalog: |
BB051906 |
Product Name: |
(1-Methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl)methanol |
CAS: |
949898-58-2 |
Synonyms: |
[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methan-1-ol |
IUPAC Name: | [2-methyl-5-(trifluoromethyl)pyrazol-3-yl]methanol |
Molecular Weight: | 180.13 |
Molecular Formula: | C6H7F3N2O |
Canonical SMILES: | CN1C(=CC(=N1)C(F)(F)F)CO |
InChI: | InChI=1S/C6H7F3N2O/c1-11-4(3-12)2-5(10-11)6(7,8)9/h2,12H,3H2,1H3 |
InChI Key: | XUGWMMNKIODMEA-UHFFFAOYSA-N |
Complexity: | 161 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 180.05104734 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 180.05104734 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 38 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.3 |
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