| CAS Number | 1134316-91-8 |
| Catalog Number | AG01AHB9 |
| Chemical Name | 2-(4-Fluorophenyl)-1,3-benzoxazol-6-amine |
| IUPAC Name | 2-(4-fluorophenyl)-1,3-benzoxazol-6-amine |
| InChI | InChI=1S/C13H9FN2O/c14-9-3-1-8(2-4-9)13-16-11-6-5-10(15)7-12(11)17-13/h1-7H,15H2 |
| InChI Key | HVFPDOLMDLRRSY-UHFFFAOYSA-N |
| MDL Number | MFCD10695992 |
| Molecular Formula | C13H9FN2O |
| Molecular Weight | 228.2218 |
| SMILES | NC1=CC2=C(N=C(C3=CC=C(F)C=C3)O2)C=C1 |
| Synonyms | 2-(4-fluorophenyl)-1,3-benzoxazol-6-amine,
1134316-91-8,
CHEMBL526533,
ZINC31899425,
AKOS005205935,
MCULE-8481706142,
NE24981,
2-(4'-fluorophenyl)benzo[d]oxazol-6-amine,
EN300-74231,
Z1266933826,
|
| Complexity | 268 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 228.07g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 228.226g/mol |
| Monoisotopic Mass | 228.07g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 52A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number