| CAS Number | 1334146-85-8 |
| Catalog Number | AG01AJRB(AGN-PC-0WOCK7) |
| Chemical Name | 5-(chloromethyl)-3-(2,6-difluorophenyl)-4,5-dihydro-1,2-oxazole |
| IUPAC Name | 5-(chloromethyl)-3-(2,6-difluorophenyl)-4,5-dihydro-1,2-oxazole |
| InChI | InChI=1S/C10H8ClF2NO/c11-5-6-4-9(14-15-6)10-7(12)2-1-3-8(10)13/h1-3,6H,4-5H2 |
| InChI Key | CPNPNFBNLASJFJ-UHFFFAOYSA-N |
| MDL Number | MFCD19665152 |
| Molecular Formula | C10H8ClF2NO |
| Molecular Weight | 231.6264 |
| SMILES | FC1=C(C2CC(CCl)ON=2)C(F)=CC=C1 |
| Synonyms | 5-(chloromethyl)-3-(2,6-difluorophenyl)-4,5-dihydro-1,2-oxazole,
1334146-85-8,
AKOS013475719,
NE21507,
EN300-81772,
|
| Complexity | 252 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 231.026g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 231.627g/mol |
| Monoisotopic Mass | 231.026g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 21.6A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.6 |
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Certificate of Analysis
Lot Number