| CAS Number | 1261861-80-6 |
| Catalog Number | AG01C2H5 |
| Chemical Name | 2-Amino-6-(trifluoromethoxy)benzonitrile |
| IUPAC Name | 2-amino-6-(trifluoromethoxy)benzonitrile |
| InChI | InChI=1S/C8H5F3N2O/c9-8(10,11)14-7-3-1-2-6(13)5(7)4-12/h1-3H,13H2 |
| InChI Key | OCOALFKBAWMSFY-UHFFFAOYSA-N |
| MDL Number | MFCD09745167 |
| Molecular Formula | C8H5F3N2O |
| Molecular Weight | 202.1333 |
| SMILES | NC1=C(C#N)C(OC(F)(F)F)=CC=C1 |
| Synonyms | 2-AMINO-6-(TRIFLUOROMETHOXY)BENZONITRILE,
1261861-80-6,
SCHEMBL18554911,
AKOS027201058,
ZINC199748030,
FCH1392628,
EN300-251507,
Z2301438391,
|
| Complexity | 245 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 202.035g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 202.136g/mol |
| Monoisotopic Mass | 202.035g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 59A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.7 |
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Certificate of Analysis
Lot Number