| CAS Number | 1206980-54-2 |
| Catalog Number | AG0039TQ(AGN-PC-0WG3J3) |
| Chemical Name | 4-(Trifluoromethoxy)pyridin-2-amine |
| IUPAC Name | 4-(trifluoromethoxy)pyridin-2-amine |
| InChI | InChI=1S/C6H5F3N2O/c7-6(8,9)12-4-1-2-11-5(10)3-4/h1-3H,(H2,10,11) |
| InChI Key | OOTFIRIPQWSBKK-UHFFFAOYSA-N |
| MDL Number | MFCD22550541 |
| Molecular Formula | C6H5F3N2O |
| Molecular Weight | 178.1119 |
| SMILES | FC(OC1=CC(=NC=C1)N)(F)F |
| Synonyms | 4-(Trifluoromethoxy)pyridin-2-amine,
1206980-54-2,
MFCD22550541,
ZINC238704841,
SB21419,
AS-54368,
CS-0051132,
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| Complexity | 150 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 178.035g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 178.114g/mol |
| Monoisotopic Mass | 178.035g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 48.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
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Certificate of Analysis
Lot Number