| CAS Number | 862574-66-1 |
| Catalog Number | AG01AGR0(AGN-PC-01P5GA) |
| Chemical Name | 5-[(2-Chlorophenyl)methyl]-1,3,4-oxadiazol-2-amine |
| IUPAC Name | 5-[(2-chlorophenyl)methyl]-1,3,4-oxadiazol-2-amine |
| InChI | InChI=1S/C9H8ClN3O/c10-7-4-2-1-3-6(7)5-8-12-13-9(11)14-8/h1-4H,5H2,(H2,11,13) |
| InChI Key | KXMXDIMDUQXAPN-UHFFFAOYSA-N |
| MDL Number | MFCD09803628 |
| Molecular Formula | C9H8ClN3O |
| Molecular Weight | 209.6323 |
| SMILES | NC1OC(CC2=C(Cl)C=CC=C2)=NN=1 |
| Synonyms | 5-[(2-chlorophenyl)methyl]-1,3,4-oxadiazol-2-amine,
862574-66-1,
5-(2-Chloro-benzyl)-[1,3,4]oxadiazol-2-ylamine,
AC1Q532Y,
SCHEMBL12027300,
CTK7E1475,
KXMXDIMDUQXAPN-UHFFFAOYSA-N,
AOD100650,
ZINC19404052,
AKOS000162434,
NE21595,
EN300-72601,
1,3,4-Oxadiazol-2-amine, 5-[(2-chlorophenyl)methyl]-,
|
| Complexity | 193 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 209.036g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 209.633g/mol |
| Monoisotopic Mass | 209.036g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 64.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number