| CAS Number | 200573-05-3 |
| Catalog Number | AG002CUJ(AGN-PC-00HCD4) |
| Chemical Name | 5-(iodomethyl)-2-phenyl-4,5-dihydro-1,3-oxazole |
| IUPAC Name | 5-(iodomethyl)-2-phenyl-4,5-dihydro-1,3-oxazole |
| InChI | InChI=1S/C10H10INO/c11-6-9-7-12-10(13-9)8-4-2-1-3-5-8/h1-5,9H,6-7H2 |
| InChI Key | YMHOTMGSGXOMNO-UHFFFAOYSA-N |
| MDL Number | MFCD29907197 |
| Molecular Formula | C10H10INO |
| Molecular Weight | 287.0970 |
| SMILES | ICC1OC(C2=CC=CC=C2)=NC1 |
| Synonyms | 200573-05-3,
5-(iodomethyl)-2-phenyl-4,5-dihydro-1,3-oxazole,
Oxazole, 4,5-dihydro-5-(iodomethyl)-2-phenyl-,
CTK0J9478,
DTXSID60474329,
2-Phenyl-5-(iodomethyl)-2-oxazoline,
CID11845181,
5-(iodomethyl)-2-phenyl-4,5-dihydrooxazole,
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| Complexity | 199 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 286.981g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 287.1g/mol |
| Monoisotopic Mass | 286.981g/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 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number