| CAS Number | 1178476-14-6 |
| Catalog Number | AG01BXRX(AGN-PC-0WNMUT) |
| Chemical Name | 4-(chloromethyl)-2-(3,5-dichlorophenyl)-1,3-oxazole |
| IUPAC Name | 4-(chloromethyl)-2-(3,5-dichlorophenyl)-1,3-oxazole |
| InChI | InChI=1S/C10H6Cl3NO/c11-4-9-5-15-10(14-9)6-1-7(12)3-8(13)2-6/h1-3,5H,4H2 |
| InChI Key | SKZIKVWUUDJVCF-UHFFFAOYSA-N |
| MDL Number | MFCD12774691 |
| Molecular Formula | C10H6Cl3NO |
| Molecular Weight | 262.5197 |
| SMILES | ClCC1N=C(C2=CC(Cl)=CC(Cl)=C2)OC=1 |
| Synonyms | 1178476-14-6,
4-(chloromethyl)-2-(3,5-dichlorophenyl)-1,3-oxazole,
ZINC37933876,
|
| Complexity | 207 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 260.951g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 262.514g/mol |
| Monoisotopic Mass | 260.951g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 26A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.7 |
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