3-(2-Chloro-4-fluorophenoxy)-1-methyl-1H-pyrazol-4-amine hydrochloride - CAS 1431964-53-2
Catalog: |
BB052261 |
Product Name: |
3-(2-Chloro-4-fluorophenoxy)-1-methyl-1H-pyrazol-4-amine hydrochloride |
CAS: |
1431964-53-2 |
Synonyms: |
3-(2-Chloro-4-fluorophenoxy)-1-methyl-1H-pyrazol-4-aminehydrochloride |
IUPAC Name: | 3-(2-chloro-4-fluorophenoxy)-1-methylpyrazol-4-amine;hydrochloride |
Molecular Weight: | 278.11 |
Molecular Formula: | C10H10Cl2FN3O |
Canonical SMILES: | CN1C=C(C(=N1)OC2=C(C=C(C=C2)F)Cl)N.Cl |
InChI: | InChI=1S/C10H9ClFN3O.ClH/c1-15-5-8(13)10(14-15)16-9-3-2-6(12)4-7(9)11;/h2-5H,13H2,1H3;1H |
InChI Key: | IHIWQBTVNUIHGR-UHFFFAOYSA-N |
Complexity: | 246 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 2 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 277.0184955 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 277.0184955 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 53.1 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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