2-Amino-1-(4-trifluoromethoxyphenyl)ethanone Hydrochloride - CAS 1092390-14-1
Catalog: |
BB074482 |
Product Name: |
2-Amino-1-(4-trifluoromethoxyphenyl)ethanone Hydrochloride |
CAS: |
1092390-14-1 |
Synonyms: |
2-amino-1-(4-(trifluoromethoxy)phenyl)ethanone hydrochloride; 2-amino-1-[4-(trifluoromethoxy)phenyl]ethanone; hydrochloride; 2-amino-1-[4-(trifluoromethoxy)phenyl]ethan-1-one hydrochloride |
IUPAC Name: | 2-amino-1-[4-(trifluoromethoxy)phenyl]ethanonehydrochloride |
Molecular Weight: | 219.16 + (36.46) |
Molecular Formula: | C9H8F3NO2·(HCl) |
Canonical SMILES: | C1=CC(=CC=C1C(=O)CN)OC(F)(F)F.Cl |
InChI: | InChI=1S/C9H8F3NO2.ClH/c10-9(11,12)15-7-3-1-6(2-4-7)8(14)5-13/h1-4H,5,13H21H |
InChI Key: | NZMDFORULDJBNT-UHFFFAOYSA-N |
References: | Boiteau, J. G., et al. From Fr. Demande (2008), FR 2917087 A1 20081212. |
Complexity: | 222 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 2 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 255.0273907 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 255.0273907 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 52.3Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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