| CAS Number | 478030-50-1 |
| Catalog Number | AG00IXUL(AGN-PC-0WASHZ) |
| Chemical Name | 2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]acetic acid |
| IUPAC Name | 2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]acetic acid |
| InChI | InChI=1S/C10H7ClN2O3/c11-7-3-1-6(2-4-7)10-12-8(16-13-10)5-9(14)15/h1-4H,5H2,(H,14,15) |
| InChI Key | SUVXWDJZJAVWEA-UHFFFAOYSA-N |
| MDL Number | MFCD02102656 |
| Molecular Formula | C10H7ClN2O3 |
| Molecular Weight | 238.6272 |
| SMILES | OC(CC1ON=C(C2=CC=C(Cl)C=C2)N=1)=O |
| Synonyms | 2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]acetic Acid,
478030-50-1,
AC1LSWMA,
CHEMBL495441,
KS-00001UX3,
ZINC4092670,
AKOS005086669,
MCULE-6166910841,
BB 0248340,
2R-1555,
[3-(4-Chloro-phenyl)-[1,2,4]oxadiazol-5-yl]-ac etic acid,
CID1472625,
|
| Complexity | 256 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 238.015g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 238.627g/mol |
| Monoisotopic Mass | 238.015g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 76.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number