| CAS Number | 1982241-78-0 |
| Catalog Number | AG00I3MF(AGN-PC-0WQZTG) |
| Chemical Name | 5-(Trifluoromethoxy)-3a,7a-dihydro-1H-indazol-3-amine |
| IUPAC Name | 5-(trifluoromethoxy)-3a,7a-dihydro-1H-indazol-3-amine |
| InChI | InChI=1S/C8H8F3N3O/c9-8(10,11)15-4-1-2-6-5(3-4)7(12)14-13-6/h1-3,5-6,13H,(H2,12,14) |
| InChI Key | GACJLLSGWRTESB-UHFFFAOYSA-N |
| MDL Number | MFCD28369583 |
| Molecular Formula | C8H8F3N3O |
| Molecular Weight | 219.1638 |
| SMILES | NC1=NNC2C1C=C(C=C2)OC(F)(F)F |
| Synonyms | 5-(TRIFLUOROMETHOXY)-3A,7A-DIHYDRO-1H-INDAZOL-3-AMINE,
1982241-78-0,
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| Complexity | 359 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 219.062g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 219.167g/mol |
| Monoisotopic Mass | 219.062g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 59.6A^2 |
| Undefined Atom Stereocenter Count | 2 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.4 |
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Certificate of Analysis
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