4-Iodo-1-methyl-3-trifluoromethyl-1H-pyrazole - CAS 1194377-09-7
Catalog: |
BB052076 |
Product Name: |
4-Iodo-1-methyl-3-trifluoromethyl-1H-pyrazole |
CAS: |
1194377-09-7 |
Synonyms: |
1H-Pyrazole, 4-iodo-1-methyl-3-(trifluoromethyl)- |
IUPAC Name: | 4-iodo-1-methyl-3-(trifluoromethyl)pyrazole |
Molecular Weight: | 276.00 |
Molecular Formula: | C5H4F3IN2 |
Canonical SMILES: | CN1C=C(C(=N1)C(F)(F)F)I |
InChI: | InChI=1S/C5H4F3IN2/c1-11-2-3(9)4(10-11)5(6,7)8/h2H,1H3 |
InChI Key: | ZQDJDRAUUFYKJA-UHFFFAOYSA-N |
Boiling Point: | 231.9±40.0 °C at 760 mmHg |
Purity: | 97% |
Density: | 2.1±0.1 g/cm3 |
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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