4-(Bromomethyl)-5-(difluoromethoxy)-1-methyl-3-(trifluoromethyl)-1H-pyrazole - CAS 656825-78-4
Catalog: |
BB073363 |
Product Name: |
4-(Bromomethyl)-5-(difluoromethoxy)-1-methyl-3-(trifluoromethyl)-1H-pyrazole |
CAS: |
656825-78-4 |
Synonyms: |
4-(bromomethyl)-5-(difluoromethoxy)-1-methyl-3-(trifluoromethyl)-1H-pyrazole; 4-bromomethyl-5-difluoromethoxy-1-methyl-3-trifluoromethyl-1H-pyrazole; 4-bromomethyl-5-difluoromethoxy-1-methyl-3-trifluoromethyl-1H -pyrazole |
IUPAC Name: | 4-(bromomethyl)-5-(difluoromethoxy)-1-methyl-3-(trifluoromethyl)pyrazole |
Molecular Weight: | 309.03 |
Molecular Formula: | C7H6BrF5N2O |
Canonical SMILES: | CN1C(=C(C(=N1)C(F)(F)F)CBr)OC(F)F |
InChI: | InChI=1S/C7H6BrF5N2O/c1-15-5(16-6(9)10)3(2-8)4(14-15)7(11,12)13/h6H,2H2,1H3 |
InChI Key: | CXLRTEKQMOULAX-UHFFFAOYSA-N |
Complexity: | 239 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 307.95837 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 7 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 307.95837 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 27Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3 |
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