4-Chloro-1-methyl-3-(trifluoromethyl)pyrazole-5-carbonyl chloride - CAS 129768-26-9
Catalog: |
BB051951 |
Product Name: |
4-Chloro-1-methyl-3-(trifluoromethyl)pyrazole-5-carbonyl chloride |
CAS: |
129768-26-9 |
Synonyms: |
4-Chloro-1-methyl-3-(trifluoromethyl)-1H-pyrazole-5-carbonyl chloride |
IUPAC Name: | 4-chloro-2-methyl-5-(trifluoromethyl)pyrazole-3-carbonyl chloride |
Molecular Weight: | 247.00 |
Molecular Formula: | C6H3Cl2F3N2O |
Canonical SMILES: | CN1C(=C(C(=N1)C(F)(F)F)Cl)C(=O)Cl |
InChI: | InChI=1S/C6H3Cl2F3N2O/c1-13-3(5(8)14)2(7)4(12-13)6(9,10)11/h1H3 |
InChI Key: | YLMDZKNGGYKKGN-UHFFFAOYSA-N |
Complexity: | 248 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 245.9574526 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 245.9574526 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 34.9 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.6 |
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