| CAS Number | 122139-97-3 |
| Catalog Number | AG00A69Z(AGN-PC-0WO4HV) |
| Chemical Name | 2-(Trifluoromethyl)-1,3-benzoxazol-5-amine |
| IUPAC Name | 2-(trifluoromethyl)-1,3-benzoxazol-5-amine |
| InChI | InChI=1S/C8H5F3N2O/c9-8(10,11)7-13-5-3-4(12)1-2-6(5)14-7/h1-3H,12H2 |
| InChI Key | FLWWHTTZBXDGEQ-UHFFFAOYSA-N |
| MDL Number | MFCD09937246 |
| Molecular Formula | C8H5F3N2O |
| Molecular Weight | 202.1333 |
| SMILES | NC1=CC2=C(OC(C(F)(F)F)=N2)C=C1 |
| Synonyms | 2-(trifluoromethyl)-1,3-benzoxazol-5-amine,
122139-97-3,
2-(Trifluoromethyl)benzo[d]oxazol-5-amine,
AC1Q52F6,
SCHEMBL20502744,
CTK7D8541,
ZINC19475051,
AKOS000182189,
MCULE-4318798460,
NE18205,
5-Benzoxazolamine, 2-(trifluoromethyl)-,
EN300-55708,
Z857666964,
|
| 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