| CAS Number | 1249297-20-8 |
| Catalog Number | AG01DV3Z |
| Chemical Name | cyano({[3-(trifluoromethyl)phenyl]methyl})amine |
| IUPAC Name | [3-(trifluoromethyl)phenyl]methylcyanamide |
| InChI | InChI=1S/C9H7F3N2/c10-9(11,12)8-3-1-2-7(4-8)5-14-6-13/h1-4,14H,5H2 |
| InChI Key | LPIBGMHJSBMGKE-UHFFFAOYSA-N |
| MDL Number | MFCD16767935 |
| Molecular Formula | C9H7F3N2 |
| Molecular Weight | 200.1605 |
| SMILES | FC(C1=CC(CNC#N)=CC=C1)(F)F |
| Synonyms | AKOS011772124,
[3-(trifluoromethyl)phenyl]methylcyanamide,
1249297-20-8,
|
| Complexity | 228 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 200.056g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 200.164g/mol |
| Monoisotopic Mass | 200.056g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 35.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.1 |
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Certificate of Analysis
Lot Number