| CAS Number | 808756-84-5 |
| Catalog Number | AG00GA90(AGN-PC-03MG43) |
| Chemical Name | 2,3-Dihydro-5-(trifluoromethyl)-1H-inden-1-amine |
| IUPAC Name | 5-(trifluoromethyl)-2,3-dihydro-1H-inden-1-amine |
| InChI | InChI=1S/C10H10F3N/c11-10(12,13)7-2-3-8-6(5-7)1-4-9(8)14/h2-3,5,9H,1,4,14H2 |
| InChI Key | PBRGODMRDUJDQL-UHFFFAOYSA-N |
| MDL Number | MFCD13192204 |
| Molecular Formula | C10H10F3N |
| Molecular Weight | 201.1883 |
| SMILES | c1cc2c(cc1C(F)(F)F)CCC2N |
| Synonyms | 5-(Trifluoromethyl)-2,3-dihydro-1H-inden-1-amine,
808756-84-5,
SCHEMBL1863996,
MFCD13192204,
AS-43336,
(1R)-5-(TRIFLUOROMETHYL)INDANYLAMINE,
(1S)-5-(TRIFLUOROMETHYL)INDANYLAMINE,
|
| Complexity | 214 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 201.077g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 201.192g/mol |
| Monoisotopic Mass | 201.077g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 26A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
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Certificate of Analysis
Lot Number