1-Ethyl-5-iodo-3-(trifluoromethyl)-1H-pyrazole - CAS 1823783-69-2
Catalog: |
BB052483 |
Product Name: |
1-Ethyl-5-iodo-3-(trifluoromethyl)-1H-pyrazole |
CAS: |
1823783-69-2 |
Synonyms: |
1-Ethyl-5-iodo-3-(trifluoromethyl)-1H-pyrazole |
IUPAC Name: | 1-ethyl-5-iodo-3-(trifluoromethyl)pyrazole |
Molecular Weight: | 290.02 |
Molecular Formula: | C6H6F3IN2 |
Canonical SMILES: | CCN1C(=CC(=N1)C(F)(F)F)I |
InChI: | InChI=1S/C6H6F3IN2/c1-2-12-5(10)3-4(11-12)6(7,8)9/h3H,2H2,1H3 |
InChI Key: | YFFUPMSUBMIWTR-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: | 289.95278 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 289.95278 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 17.8 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.1 |
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