| CAS Number | 1018584-37-6 |
| Catalog Number | AG01BC13 |
| Chemical Name | 2-(5-(4-Fluorophenyl)isoxazol-3-yl)acetic acid |
| IUPAC Name | 2-[5-(4-fluorophenyl)-1,2-oxazol-3-yl]acetic acid |
| InChI | InChI=1S/C11H8FNO3/c12-8-3-1-7(2-4-8)10-5-9(13-16-10)6-11(14)15/h1-5H,6H2,(H,14,15) |
| InChI Key | ZVHVHPPPJAWTRL-UHFFFAOYSA-N |
| MDL Number | MFCD10036149 |
| Molecular Formula | C11H8FNO3 |
| Molecular Weight | 221.1845 |
| SMILES | OC(CC1=NOC(C2=CC=C(F)C=C2)=C1)=O |
| Synonyms | [5-(4-fluorophenyl)isoxazol-3-yl]acetic acid,
1018584-37-6,
[5-(4-fluorophenyl)-1,2-oxazol-3-yl]acetic acid,
F2135-0567,
N/A,
2-(5-(4-fluorophenyl)isoxazol-3-yl)acetic acid,
2-[5-(4-fluorophenyl)isoxazol-3-yl]acetic acid,
SCHEMBL11903187,
ZVHVHPPPJAWTRL-UHFFFAOYSA-N,
ZINC20270419,
AKOS005208349,
MCULE-4502092455,
L-3531,
|
| Complexity | 254 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 221.049g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 221.187g/mol |
| Monoisotopic Mass | 221.049g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 63.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number