3-Amino-n-(2,2,2-trifluoroethyl)benzamide - CAS 260973-22-6
Catalog: |
BB074441 |
Product Name: |
3-Amino-n-(2,2,2-trifluoroethyl)benzamide |
CAS: |
260973-22-6 |
Synonyms: |
3-Amino-N-(2,2,2-trifluoroethyl)benzamide |
IUPAC Name: | 3-amino-N-(2,2,2-trifluoroethyl)benzamide |
Description: | 3-Amino-n-(2,2,2-trifluoroethyl)benzamide |
Molecular Weight: | 218.18 |
Molecular Formula: | C9H9F3N2O |
Canonical SMILES: | C1=CC(=CC(=C1)N)C(=O)NCC(F)(F)F |
InChI: | InChI=1S/C9H9F3N2O/c10-9(11,12)5-14-8(15)6-2-1-3-7(13)4-6/h1-4H,5,13H2,(H,14,15) |
InChI Key: | ZBBZFKFGADOTAS-UHFFFAOYSA-N |
Complexity: | 230 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 218.0666974 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 218.0666974 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 55.1Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1 |
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