| CAS Number | 1864058-49-0 |
| Catalog Number | AG01C1B1 |
| Chemical Name | 5,6,7-Trifluoro-2,3-dihydro-1H-inden-1-amine hydrochloride |
| IUPAC Name | 5,6,7-trifluoro-2,3-dihydro-1H-inden-1-amine;hydrochloride |
| InChI | InChI=1S/C9H8F3N.ClH/c10-5-3-4-1-2-6(13)7(4)9(12)8(5)11;/h3,6H,1-2,13H2;1H |
| InChI Key | VBYFXZPVKSQSTG-UHFFFAOYSA-N |
| MDL Number | MFCD29041350 |
| Molecular Formula | C9H9ClF3N |
| Molecular Weight | 223.6227 |
| SMILES | NC1CCC2=C1C(F)=C(C(F)=C2)F.[H]Cl |
| Synonyms | 1864058-49-0,
5,6,7-trifluoro-2,3-dihydro-1H-inden-1-amine hydrochloride,
|
| Complexity | 199 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 223.038g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 223.623g/mol |
| Monoisotopic Mass | 223.038g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 26A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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