| CAS Number | 747353-64-6 |
| Catalog Number | AG00ICJY(AGN-PC-0WCMF2) |
| Chemical Name | 6-(Trifluoromethyl)-1,3-benzoxazol-2-amine |
| IUPAC Name | 6-(trifluoromethyl)-1,3-benzoxazol-2-amine |
| InChI | InChI=1S/C8H5F3N2O/c9-8(10,11)4-1-2-5-6(3-4)14-7(12)13-5/h1-3H,(H2,12,13) |
| InChI Key | QOKUYESFCHHLDM-UHFFFAOYSA-N |
| MDL Number | MFCD27936873 |
| Molecular Formula | C8H5F3N2O |
| Molecular Weight | 202.1333 |
| SMILES | NC1OC2=C(C=CC(C(F)(F)F)=C2)N=1 |
| Synonyms | 6-(trifluoromethyl)-1,3-benzoxazol-2-amine,
747353-64-6,
SCHEMBL14131,
ZINC97757408,
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| Complexity | 221 |
| 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 | 0 |
| Topological Polar Surface Area | 52A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
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Certificate of Analysis
Lot Number