| CAS Number | 2060033-41-0 |
| Catalog Number | AG01BS5Z |
| Chemical Name | 2-(chloromethyl)-5-(3-methoxynaphthalen-2-yl)-1,3,4-oxadiazole |
| IUPAC Name | 2-(chloromethyl)-5-(3-methoxynaphthalen-2-yl)-1,3,4-oxadiazole |
| InChI | InChI=1S/C14H11ClN2O2/c1-18-12-7-10-5-3-2-4-9(10)6-11(12)14-17-16-13(8-15)19-14/h2-7H,8H2,1H3 |
| InChI Key | NJKBRJKOBPMPRU-UHFFFAOYSA-N |
| MDL Number | MFCD30536069 |
| Molecular Formula | C14H11ClN2O2 |
| Molecular Weight | 274.7023 |
| SMILES | COC1=C(C2OC(CCl)=NN=2)C=C2C(C=CC=C2)=C1 |
| Synonyms | 2-(chloromethyl)-5-(3-methoxynaphthalen-2-yl)-1,3,4-oxadiazole,
2060033-41-0,
ZINC584880228,
|
| Complexity | 305 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 274.050905g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 274.7g/mol |
| Monoisotopic Mass | 274.050905g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 48.2Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number