| CAS Number | 915923-98-7 |
| Catalog Number | AG006GIS(AGN-PC-0WB3EQ) |
| Chemical Name | 3-Ethyl-4-(4-fluorophenyl)isoxazol-5-amine |
| IUPAC Name | 3-ethyl-4-(4-fluorophenyl)-1,2-oxazol-5-amine |
| InChI | InChI=1S/C11H11FN2O/c1-2-9-10(11(13)15-14-9)7-3-5-8(12)6-4-7/h3-6H,2,13H2,1H3 |
| InChI Key | LJMQWOISRINAAD-UHFFFAOYSA-N |
| MDL Number | MFCD08691464 |
| Molecular Formula | C11H11FN2O |
| Molecular Weight | 206.2162 |
| SMILES | C1(C2C=CC(=CC=2)F)C(CC)=NOC=1N |
| Synonyms | 3-ETHYL-4-(4-FLUOROPHENYL)ISOXAZOL-5-AMINE,
915923-98-7,
3-ethyl-4-(4-fluorophenyl)isoxazole-5-ylamine,
CTK5H0133,
DTXSID30586226,
ZINC8745748,
ZX-CM003364,
MFCD08691464,
SBB081515,
AKOS000276348,
MCULE-8717973058,
AJ-59218,
3-Ethyl-4-(4-fluorophenyl)-5-isoxazolamine,
ST50774275,
Y-4157,
3-ethyl-4-(4-fluorophenyl)-1,2-oxazol-5-amine,
3-ethyl-4-(4-fluorophenyl)isoxazol-5-amine, AldrichCPR,
F3305-0613,
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| Complexity | 207 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 206.086g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 206.22g/mol |
| Monoisotopic Mass | 206.086g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 52A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.6 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number