| CAS Number | 1017045-81-6 |
| Catalog Number | AG019UMU(AGN-PC-0WO9Z2) |
| Chemical Name | 2-Methyl-4-(1,3,4-oxadiazol-2-yl)aniline |
| IUPAC Name | 2-methyl-4-(1,3,4-oxadiazol-2-yl)aniline |
| InChI | InChI=1S/C9H9N3O/c1-6-4-7(2-3-8(6)10)9-12-11-5-13-9/h2-5H,10H2,1H3 |
| InChI Key | NILODKYHYUPDSB-UHFFFAOYSA-N |
| MDL Number | MFCD09947647 |
| Molecular Formula | C9H9N3O |
| Molecular Weight | 175.1873 |
| SMILES | CC1=C(N)C=CC(C2OC=NN=2)=C1 |
| Synonyms | 2-methyl-4-(1,3,4-oxadiazol-2-yl)aniline,
1017045-81-6,
AC1Q2FKG,
CTK7D8045,
ZINC19512254,
AKOS000193232,
MCULE-4629616596,
NE62484,
EN300-42167,
AB00998611-01,
2-methyl-4-(1,3,4-oxadiazol-2-yl)aniline, AldrichCPR,
|
| Complexity | 176 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 175.075g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 175.191g/mol |
| Monoisotopic Mass | 175.075g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 64.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number