| CAS Number | 90772-88-6 |
| Catalog Number | AG006AHJ(AGN-PC-00O29I) |
| Chemical Name | 5-(1-Chloroethyl)-3-phenyl-1,2,4-oxadiazole |
| IUPAC Name | 5-(1-chloroethyl)-3-phenyl-1,2,4-oxadiazole |
| InChI | InChI=1S/C10H9ClN2O/c1-7(11)10-12-9(13-14-10)8-5-3-2-4-6-8/h2-7H,1H3 |
| InChI Key | WLWPNBHEEVRYRC-UHFFFAOYSA-N |
| MDL Number | MFCD07838474 |
| Molecular Formula | C10H9ClN2O |
| Molecular Weight | 208.6443 |
| SMILES | CC(C1=NC(C2=CC=CC=C2)=NO1)Cl |
| Synonyms | 5-(1-chloroethyl)-3-phenyl-1,2,4-oxadiazole,
90772-88-6,
AC1Q2AZU,
SCHEMBL10934713,
CTK5G8405,
DTXSID90550009,
AKOS001201015,
AKOS016881981,
MCULE-2392159026,
NE32807,
DB-078797,
FT-0701991,
EN300-18295,
1,2,4-Oxadiazole,5-(1-chloroethyl)-3-phenyl-,
J-516063,
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| Complexity | 185 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 208.04g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 208.645g/mol |
| Monoisotopic Mass | 208.04g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 38.9A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.6 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number