| CAS Number | 60510-51-2 |
| Catalog Number | AG00EE1V(AGN-PC-0NIVOD) |
| Chemical Name | 2-(3-Phenyl-1,2,4-oxadiazol-5-yl)benzoic acid |
| IUPAC Name | 2-(3-phenyl-1,2,4-oxadiazol-5-yl)benzoic acid |
| InChI | InChI=1S/C15H10N2O3/c18-15(19)12-9-5-4-8-11(12)14-16-13(17-20-14)10-6-2-1-3-7-10/h1-9H,(H,18,19) |
| InChI Key | LQGDDSTWIZEWAR-UHFFFAOYSA-N |
| MDL Number | MFCD08691867 |
| Molecular Formula | C15H10N2O3 |
| Molecular Weight | 266.2515 |
| SMILES | N1C(C2=CC=CC=C2)=NOC=1C1=CC=CC=C1C(O)=O |
| Synonyms | 2-(3-phenyl-1,2,4-oxadiazol-5-yl)benzoic acid,
60510-51-2,
CTK5B1615,
PKCBB_00074,
DTXSID20496042,
ZX-CM017821,
BBL023531,
MFCD08691867,
SBB077337,
STL288015,
ZINC19094086,
AKOS004119187,
MCULE-5764120091,
AJ-72317,
Y-4506,
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| Complexity | 344 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 266.069g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 266.256g/mol |
| Monoisotopic Mass | 266.069g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 76.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number