| CAS Number | 1094318-44-1 |
| Catalog Number | AG01A253 |
| Chemical Name | 2-(1-chloroethyl)-5-(3,4-dichlorophenyl)-1,3-oxazole |
| IUPAC Name | 2-(1-chloroethyl)-5-(3,4-dichlorophenyl)-1,3-oxazole |
| InChI | InChI=1S/C11H8Cl3NO/c1-6(12)11-15-5-10(16-11)7-2-3-8(13)9(14)4-7/h2-6H,1H3 |
| InChI Key | CGRASENBOVUVIG-UHFFFAOYSA-N |
| MDL Number | MFCD11182485 |
| Molecular Formula | C11H8Cl3NO |
| Molecular Weight | 276.5463 |
| SMILES | CC(C1OC(C2=CC(Cl)=C(Cl)C=C2)=CN=1)Cl |
| Synonyms | 2-(1-chloroethyl)-5-(3,4-dichlorophenyl)-1,3-oxazole,
1094318-44-1,
NE60026,
|
| Complexity | 241 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 274.967g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 276.541g/mol |
| Monoisotopic Mass | 274.967g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 26A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.1 |
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