2-Fluoro-3-(trifluoromethoxy)aniline hydrochloride - CAS 1386459-74-0
Catalog: |
BB065093 |
Product Name: |
2-Fluoro-3-(trifluoromethoxy)aniline hydrochloride |
CAS: |
1386459-74-0 |
Synonyms: |
2-Fluoro-3-(trifluoromethoxy)aniline hydrochloride; 2-fluoro-3-(trifluoromethoxy)aniline; hydrochloride; 2-Fluoro-3-(trifluoromethoxy)anilinehydrochloride |
IUPAC Name: | 2-fluoro-3-(trifluoromethoxy)anilinehydrochloride |
Description: | 2-Fluoro-3-(trifluoromethoxy)aniline hydrochloride |
Molecular Weight: | 231.58 |
Molecular Formula: | C7H6ClF4NO |
Canonical SMILES: | C1=CC(=C(C(=C1)OC(F)(F)F)F)N.Cl |
InChI: | InChI=1S/C7H5F4NO.ClH/c8-6-4(12)2-1-3-5(6)13-7(9,10)11/h1-3H,12H21H |
InChI Key: | KAUSOWDERLAWHS-UHFFFAOYSA-N |
Complexity: | 172 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 2 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 231.0074042 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 231.0074042 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 35.2Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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