| CAS Number | 1005336-42-4 |
| Catalog Number | AG01AALZ(AGN-PC-0WO9RJ) |
| Chemical Name | 4-(Chloromethyl)-2-(3,4-difluorophenyl)-1,3-oxazole |
| IUPAC Name | 4-(chloromethyl)-2-(3,4-difluorophenyl)-1,3-oxazole |
| InChI | InChI=1S/C10H6ClF2NO/c11-4-7-5-15-10(14-7)6-1-2-8(12)9(13)3-6/h1-3,5H,4H2 |
| InChI Key | RHRWTBORHGIPTG-UHFFFAOYSA-N |
| MDL Number | MFCD12774700 |
| Molecular Formula | C10H6ClF2NO |
| Molecular Weight | 229.6105 |
| SMILES | FC1=C(F)C=C(C2OC=C(CCl)N=2)C=C1 |
| Synonyms | 4-(chloromethyl)-2-(3,4-difluorophenyl)-1,3-oxazole,
1005336-42-4,
AC1Q4LBD,
SCHEMBL2106130,
RHRWTBORHGIPTG-UHFFFAOYSA-N,
ZINC37933924,
AKOS010213455,
NE35755,
EN300-68970,
|
| Complexity | 220 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 229.011g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 229.611g/mol |
| Monoisotopic Mass | 229.011g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 26A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number