| CAS Number | 1155531-69-3 |
| Catalog Number | AG01A8X8(AGN-PC-0WO5SK) |
| Chemical Name | [5-(3-Chlorophenyl)-1,3-oxazol-2-yl]methanol |
| IUPAC Name | [5-(3-chlorophenyl)-1,3-oxazol-2-yl]methanol |
| InChI | InChI=1S/C10H8ClNO2/c11-8-3-1-2-7(4-8)9-5-12-10(6-13)14-9/h1-5,13H,6H2 |
| InChI Key | SYNHPTPDCOUPLT-UHFFFAOYSA-N |
| MDL Number | MFCD12137987 |
| Molecular Formula | C10H8ClNO2 |
| Molecular Weight | 209.6290 |
| SMILES | OCC1OC(C2=CC(Cl)=CC=C2)=CN=1 |
| Synonyms | [5-(3-chlorophenyl)-1,3-oxazol-2-yl]methanol,
1155531-69-3,
AC1Q7C4D,
ZINC36757623,
AKOS009590760,
NE15410,
EN300-62819,
|
| Complexity | 191 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 209.024g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 209.629g/mol |
| Monoisotopic Mass | 209.024g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 46.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
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Certificate of Analysis
Lot Number