| CAS Number | 78858-61-4 |
| Catalog Number | AG019KC5 |
| Chemical Name | 3-[5-(4-Chlorophenyl)-1,3,4-oxadiazol-2-yl]propanoic acid |
| IUPAC Name | 3-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]propanoic acid |
| InChI | InChI=1S/C11H9ClN2O3/c12-8-3-1-7(2-4-8)11-14-13-9(17-11)5-6-10(15)16/h1-4H,5-6H2,(H,15,16) |
| InChI Key | HELDFADNDFRXQI-UHFFFAOYSA-N |
| MDL Number | MFCD09880471 |
| Molecular Formula | C11H9ClN2O3 |
| Molecular Weight | 252.6538 |
| SMILES | OC(CCC1OC(C2=CC=C(Cl)C=C2)=NN=1)=O |
| Synonyms | 3-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]propanoic acid,
78858-61-4,
3-(5-(4-Chlorophenyl)-1,3,4-oxadiazol-2-yl)propanoic acid,
SBB076591,
ZINC19780314,
AKOS005135966,
MCULE-5973051270,
NE18432,
EN300-26350,
Z1270443867,
AC1Q75B8,
|
| Complexity | 269 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 252.03017g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 252.65g/mol |
| Monoisotopic Mass | 252.03017g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 76.2Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number