| CAS Number | 1126636-26-7 |
| Catalog Number | AG01BXPC |
| Chemical Name | 4-(chloromethyl)-2-[2-(trifluoromethyl)phenyl]-1,3-oxazole |
| IUPAC Name | 4-(chloromethyl)-2-[2-(trifluoromethyl)phenyl]-1,3-oxazole |
| InChI | InChI=1S/C11H7ClF3NO/c12-5-7-6-17-10(16-7)8-3-1-2-4-9(8)11(13,14)15/h1-4,6H,5H2 |
| InChI Key | BSPHSJDYNMUDNQ-UHFFFAOYSA-N |
| MDL Number | MFCD11845041 |
| Molecular Formula | C11H7ClF3NO |
| Molecular Weight | 261.6276 |
| SMILES | FC(C1=C(C2OC=C(CCl)N=2)C=CC=C1)(F)F |
| Synonyms | 4-(chloromethyl)-2-[2-(trifluoromethyl)phenyl]-1,3-oxazole,
1126636-26-7,
ZINC37933875,
AKOS005795490,
|
| Complexity | 262 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 261.017g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 261.628g/mol |
| Monoisotopic Mass | 261.017g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 26A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.3 |
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