3-Fluoro-4-(3-phenyl-1H-pyrazol-1-yl)aniline hydrochloride - CAS 2101196-81-8
Catalog: |
BB051253 |
Product Name: |
3-Fluoro-4-(3-phenyl-1H-pyrazol-1-yl)aniline hydrochloride |
CAS: |
2101196-81-8 |
Synonyms: |
Benzenamine, 3-fluoro-4-(3-phenyl-1H-pyrazol-1-yl)-, hydrochloride (1:1) |
IUPAC Name: | 3-fluoro-4-(3-phenylpyrazol-1-yl)aniline;hydrochloride |
Molecular Weight: | 289.74 |
Molecular Formula: | C15H13ClFN3 |
Canonical SMILES: | C1=CC=C(C=C1)C2=NN(C=C2)C3=C(C=C(C=C3)N)F.Cl |
InChI: | InChI=1S/C15H12FN3.ClH/c16-13-10-12(17)6-7-15(13)19-9-8-14(18-19)11-4-2-1-3-5-11;/h1-10H,17H2;1H |
InChI Key: | RVPWJTHCSCFYGZ-UHFFFAOYSA-N |
Purity: | ≥95% |
Complexity: | 293 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 2 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 289.0782033 |
Formal Charge: | 0 |
Heavy Atom Count: | 20 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 289.0782033 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 43.8 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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