| CAS Number | 54014-15-2 |
| Catalog Number | AG01AAR6(AGN-PC-0WO1PH) |
| Chemical Name | [5-(2-Chlorophenyl)-1,3,4-oxadiazol-2-yl]methanol |
| IUPAC Name | [5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methanol |
| InChI | InChI=1S/C9H7ClN2O2/c10-7-4-2-1-3-6(7)9-12-11-8(5-13)14-9/h1-4,13H,5H2 |
| InChI Key | KVNIWYBESKWXTD-UHFFFAOYSA-N |
| MDL Number | MFCD08443044 |
| Molecular Formula | C9H7ClN2O2 |
| Molecular Weight | 210.6171 |
| SMILES | OCC1OC(C2=C(Cl)C=CC=C2)=NN=1 |
| Synonyms | [5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methanol,
54014-15-2,
(5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl)methanol,
AC1Q7C5A,
ZINC21952455,
AKOS000126106,
MCULE-3209566528,
NE27936,
EN300-69355,
Z228585674,
|
| Complexity | 194 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 210.02g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 210.617g/mol |
| Monoisotopic Mass | 210.02g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 59.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.2 |
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Certificate of Analysis
Lot Number