α-Amino-4-(trifluoromethoxy)benzeneacetonitrile Hydrochloride - CAS 1375474-19-3
Catalog: |
BB074464 |
Product Name: |
α-Amino-4-(trifluoromethoxy)benzeneacetonitrile Hydrochloride |
CAS: |
1375474-19-3 |
Synonyms: |
2-amino-2-[4-(trifluoromethoxy)phenyl]acetonitrile hydrochloride; 2-amino-2-[4-(trifluoromethoxy)phenyl]acetonitrile; hydrochloride; alpha-Amino-4-(trifluoromethoxy)benzeneacetonitrile Hydrochloride; 2-amino-2-(4-(trifluoromethoxy)phenyl)acetonitrile hydrochloride; Amino-(4-trifluoromethoxyphenyl)-acetonitrile hydrochloride |
IUPAC Name: | 2-amino-2-[4-(trifluoromethoxy)phenyl]acetonitrilehydrochloride |
Molecular Weight: | 216.16 |
Molecular Formula: | C9H7F3N2O |
Canonical SMILES: | C1=CC(=CC=C1C(C#N)N)OC(F)(F)F.Cl |
InChI: | InChI=1S/C9H7F3N2O.ClH/c10-9(11,12)15-7-3-1-6(2-4-7)8(14)5-13/h1-4,8H,14H21H |
InChI Key: | ZTAHRDJNGYSHRB-UHFFFAOYSA-N |
Complexity: | 250 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 2 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 252.0277251 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 252.0277251 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 59Ų |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
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