| CAS Number | 1083090-92-9 |
| Catalog Number | AG00969V(AGN-PC-0WOLF3) |
| Chemical Name | 2,3-Dihydro-4-(trifluoromethoxy)-1H-inden-1-amine |
| IUPAC Name | 4-(trifluoromethoxy)-2,3-dihydro-1H-inden-1-amine |
| InChI | InChI=1S/C10H10F3NO/c11-10(12,13)15-9-3-1-2-6-7(9)4-5-8(6)14/h1-3,8H,4-5,14H2 |
| InChI Key | IKXWTQGGDSQKNS-UHFFFAOYSA-N |
| MDL Number | MFCD14654087 |
| Molecular Formula | C10H10F3NO |
| Molecular Weight | 217.1877 |
| SMILES | FC(F)(F)OC1=C(CCC2N)C2=CC=C1 |
| Synonyms | 1083090-92-9,
2,3-Dihydro-4-(trifluoromethoxy)-1H-inden-1-amine,
4-(trifluoromethoxy)-2,3-dihydro-1H-inden-1-amine,
4-(Trifluoromethoxy)indan-1-amine HCl,
SCHEMBL1855711,
MFCD14654087,
AKOS005266132,
AS-49847,
CS-0088057,
(1R)-4-(TRIFLUOROMETHOXY)-2,3-DIHYDRO-1H-INDEN-1-AMINE,
(1S)-4-(TRIFLUOROMETHOXY)-2,3-DIHYDRO-1H-INDEN-1-AMINE,
|
| Complexity | 231 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 217.071g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 217.191g/mol |
| Monoisotopic Mass | 217.071g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 35.2A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number