| CAS Number | 1094351-83-3 |
| Catalog Number | AG01AH0T(AGN-PC-0WO357) |
| Chemical Name | 5-(Chloromethyl)-3-[(3-chlorophenyl)methyl]-1,2,4-oxadiazole |
| IUPAC Name | 5-(chloromethyl)-3-[(3-chlorophenyl)methyl]-1,2,4-oxadiazole |
| InChI | InChI=1S/C10H8Cl2N2O/c11-6-10-13-9(14-15-10)5-7-2-1-3-8(12)4-7/h1-4H,5-6H2 |
| InChI Key | PEEXHHSIMPHCQR-UHFFFAOYSA-N |
| MDL Number | MFCD11205879 |
| Molecular Formula | C10H8Cl2N2O |
| Molecular Weight | 243.0893 |
| SMILES | ClCC1ON=C(CC2=CC(Cl)=CC=C2)N=1 |
| Synonyms | 5-(chloromethyl)-3-[(3-chlorophenyl)methyl]-1,2,4-oxadiazole,
1094351-83-3,
AC1Q3U42,
SCHEMBL17115018,
ZINC36925388,
AKOS009330936,
NE61954,
EN300-73373,
|
| Complexity | 206 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 242.001g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 243.087g/mol |
| Monoisotopic Mass | 242.001g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 38.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.1 |
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Certificate of Analysis
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