| CAS Number | 573759-05-4 |
| Catalog Number | AG00EK29(AGN-PC-0WO8XQ) |
| Chemical Name | 2-(trifluoromethyl)-1,3-benzoxazol-4-amine |
| IUPAC Name | 2-(trifluoromethyl)-1,3-benzoxazol-4-amine |
| InChI | InChI=1S/C8H5F3N2O/c9-8(10,11)7-13-6-4(12)2-1-3-5(6)14-7/h1-3H,12H2 |
| InChI Key | FXORYKCMDPURQG-UHFFFAOYSA-N |
| MDL Number | MFCD11857158 |
| Molecular Formula | C8H5F3N2O |
| Molecular Weight | 202.1333 |
| SMILES | NC1=C2C(OC(C(F)(F)F)=N2)=CC=C1 |
| Synonyms | 2-(trifluoromethyl)-1,3-benzoxazol-4-amine,
573759-05-4,
SCHEMBL3189402,
FXORYKCMDPURQG-UHFFFAOYSA-N,
4-Amino-2-trifluoromethylbenzoxazole,
ZINC74413131,
AKOS017561005,
MCULE-8183581664,
NE32727,
2-Trifluoromethyl-benzooxazol-4-ylamine,
2-(Trifluoromethyl)benzo[d]oxazol-4-amine,
2-CHLOROMETHYL-BENZOOXAZOLE-4-YLAMINE,
|
| 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 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number