4-(Chloromethyl)-5-fluoro-1,3-dimethyl-1H-pyrazole hydrochloride - CAS 1855907-44-6
Catalog: |
BB050773 |
Product Name: |
4-(Chloromethyl)-5-fluoro-1,3-dimethyl-1H-pyrazole hydrochloride |
CAS: |
1855907-44-6 |
Synonyms: |
1H-Pyrazole, 4-(chloromethyl)-5-fluoro-1,3-dimethyl-, hydrochloride (1:1) |
Related CAS: | 1855907-43-5 (free base)
|
IUPAC Name: | 4-(chloromethyl)-5-fluoro-1,3-dimethylpyrazole;hydrochloride |
Molecular Weight: | 199.05 |
Molecular Formula: | C6H9Cl2FN2 |
Canonical SMILES: | CC1=NN(C(=C1CCl)F)C.Cl |
InChI: | InChI=1S/C6H8ClFN2.ClH/c1-4-5(3-7)6(8)10(2)9-4;/h3H2,1-2H3;1H |
InChI Key: | LAOHIFPLQPGWSD-UHFFFAOYSA-N |
Purity: | ≥95% |
Complexity: | 122 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 2 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 198.0126818 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 198.0126818 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 17.8 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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