3-Iodo-1-methyl-5-(trifluoromethyl)-1H-pyrazole - CAS 1823829-61-3
Catalog: |
BB052501 |
Product Name: |
3-Iodo-1-methyl-5-(trifluoromethyl)-1H-pyrazole |
CAS: |
1823829-61-3 |
Synonyms: |
3-Iodo-1-methyl-5-(trifluoromethyl)-1H-pyrazole |
IUPAC Name: | 3-iodo-1-methyl-5-(trifluoromethyl)pyrazole |
Molecular Weight: | 276.00 |
Molecular Formula: | C5H4F3IN2 |
Canonical SMILES: | CN1C(=CC(=N1)I)C(F)(F)F |
InChI: | InChI=1S/C5H4F3IN2/c1-11-3(5(6,7)8)2-4(9)10-11/h2H,1H3 |
InChI Key: | OIFIKWIFICPTTR-UHFFFAOYSA-N |
Purity: | >95% |
Complexity: | 149 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 275.93713 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 275.93713 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 17.8 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.8 |
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