| CAS Number | 651059-64-2 |
| Catalog Number | AG00EZF6(AGN-PC-00KBUI) |
| Chemical Name | Isoxazole, 3-(4-fluorophenyl)- (9CI) |
| IUPAC Name | 3-(4-fluorophenyl)-1,2-oxazole |
| InChI | InChI=1S/C9H6FNO/c10-8-3-1-7(2-4-8)9-5-6-12-11-9/h1-6H |
| InChI Key | JTIYGAJCKRGUBV-UHFFFAOYSA-N |
| MDL Number | MFCD08446385 |
| Molecular Formula | C9H6FNO |
| Molecular Weight | 163.1484 |
| SMILES | Fc1ccc(cc1)c1ccon1 |
| Synonyms | 3-(4-Fluorophenyl)isoxazole,
651059-64-2,
Isoxazole, 3-(4-fluorophenyl)- (9CI),
SCHEMBL20507219,
CTK8J8622,
KS-00003KMY,
3-(4-fluorophenyl)-1,2-oxazole,
5193AH,
MFCD08446385,
ZINC15442913,
AKOS006281662,
FS-2080,
3-(4-Fluorophenyl)isoxazole, AldrichCPR,
A-8210,
C9H6FNO,
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| Complexity | 146 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 163.043g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 163.151g/mol |
| Monoisotopic Mass | 163.043g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 26A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number