| CAS Number | 64640-15-9 |
| Catalog Number | AG019NTR(AGN-PC-0KI4ND) |
| Chemical Name | 2-(Chloromethyl)-5-(3-chlorophenyl)-1,3-oxazole |
| IUPAC Name | 2-(chloromethyl)-5-(3-chlorophenyl)-1,3-oxazole |
| InChI | InChI=1S/C10H7Cl2NO/c11-5-10-13-6-9(14-10)7-2-1-3-8(12)4-7/h1-4,6H,5H2 |
| InChI Key | XREYQNDZYBPWOE-UHFFFAOYSA-N |
| MDL Number | MFCD06373945 |
| Molecular Formula | C10H7Cl2NO |
| Molecular Weight | 228.0747 |
| SMILES | ClCC1OC(C2=CC(Cl)=CC=C2)=CN=1 |
| Synonyms | 2-(chloromethyl)-5-(3-chlorophenyl)-1,3-oxazole,
64640-15-9,
AC1M9T92,
AC1Q3U46,
SCHEMBL20600253,
CTK6H6988,
ZINC3444676,
AKOS000118484,
NE13251,
EN300-11772,
ZINC03444676,
CID2564761,
|
| Complexity | 191 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 226.99g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 228.072g/mol |
| Monoisotopic Mass | 226.99g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 26A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number