4-Bromo-3-(trifluoromethyl)-1H-pyrazole-1-ylmethanol - CAS 860807-33-6
Catalog: |
BB051573 |
Product Name: |
4-Bromo-3-(trifluoromethyl)-1H-pyrazole-1-ylmethanol |
CAS: |
860807-33-6 |
Synonyms: |
4-bromo-3-(trifluoromethyl)-1H-pyrazole-1-ylmethanol; 1H-Pyrazole-1-methanol, 4-bromo-3-(trifluoromethyl)- |
IUPAC Name: | [4-bromo-3-(trifluoromethyl)pyrazol-1-yl]methanol |
Molecular Weight: | 245.00 |
Molecular Formula: | C5H4BrF3N2O |
Canonical SMILES: | C1=C(C(=NN1CO)C(F)(F)F)Br |
InChI: | InChI=1S/C5H4BrF3N2O/c6-3-1-11(2-12)10-4(3)5(7,8)9/h1,12H,2H2 |
InChI Key: | SRJJROREARIXFP-UHFFFAOYSA-N |
Boiling Point: | 261.1±40.0°C (Predicted) |
Purity: | ≥95% |
Density: | 1.97±0.1 g/cm3 (Predicted) |
Complexity: | 165 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 243.94591 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 243.94591 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 38 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.2 |
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