| CAS Number | 1373233-51-2 |
| Catalog Number | AG00HUX6(AGN-PC-0WNWCJ) |
| Chemical Name | 4-[5-(1-Chloro-2-methylpropan-2-yl)-1,2,4-oxadiazol-3-yl]aniline |
| IUPAC Name | 4-[5-(1-chloro-2-methylpropan-2-yl)-1,2,4-oxadiazol-3-yl]aniline |
| InChI | InChI=1S/C12H14ClN3O/c1-12(2,7-13)11-15-10(16-17-11)8-3-5-9(14)6-4-8/h3-6H,7,14H2,1-2H3 |
| InChI Key | VHKQRVDCFPITCT-UHFFFAOYSA-N |
| MDL Number | MFCD22192411 |
| Molecular Formula | C12H9N4 |
| Molecular Weight | 209.2267 |
| SMILES | ClCC(c1onc(n1)c1ccc(cc1)N)(C)C |
| Synonyms | 4-[5-(1-CHLORO-2-METHYLPROPAN-2-YL)-1,2,4-OXADIAZOL-3-YL]ANILINE,
1373233-51-2,
KM3651,
MFCD22192411,
ZINC95494830,
AKOS026673068,
|
| Complexity | 254 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 251.083g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 251.714g/mol |
| Monoisotopic Mass | 251.083g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 64.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number