| CAS Number | 1020955-05-8 |
| Catalog Number | AG01A90D(AGN-PC-0WOA68) |
| Chemical Name | 3-(4-(Difluoromethoxy)phenyl)isoxazol-5-amine |
| IUPAC Name | 3-[4-(difluoromethoxy)phenyl]-1,2-oxazol-5-amine |
| InChI | InChI=1S/C10H8F2N2O2/c11-10(12)15-7-3-1-6(2-4-7)8-5-9(13)16-14-8/h1-5,10H,13H2 |
| InChI Key | HQVFPPUOUJQDPU-UHFFFAOYSA-N |
| MDL Number | MFCD11156291 |
| Molecular Formula | C10H8F2N2O2 |
| Molecular Weight | 226.1795 |
| SMILES | NC1ON=C(C2=CC=C(OC(F)F)C=C2)C=1 |
| Synonyms | 3-[4-(DIFLUOROMETHOXY)PHENYL]-1,2-OXAZOL-5-AMINE,
1020955-05-8,
3-(4-(Difluoromethoxy)phenyl)isoxazol-5-amine,
MFCD11156291,
ZINC20078650,
AKOS000262205,
MCULE-2293850229,
NE55920,
AM805820,
EN300-63886,
Z1266854822,
|
| Complexity | 223 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 226.055g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 226.183g/mol |
| Monoisotopic Mass | 226.055g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 61.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number