| CAS Number | 915920-56-8 |
| Catalog Number | AG006GLE(AGN-PC-0WB4WA) |
| Chemical Name | 3-[3-(2-Methylphenyl)-1,2,4-oxadiazol-5-YL]aniline |
| IUPAC Name | 3-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]aniline |
| InChI | InChI=1S/C15H13N3O/c1-10-5-2-3-8-13(10)14-17-15(19-18-14)11-6-4-7-12(16)9-11/h2-9H,16H2,1H3 |
| InChI Key | IGMJMEQGMYPTHV-UHFFFAOYSA-N |
| MDL Number | MFCD08691836 |
| Molecular Formula | C15H13N3O |
| Molecular Weight | 251.2832 |
| SMILES | N1=C(C2=CC=CC(N)=C2)ON=C1C1C=CC=CC=1C |
| Synonyms | 915920-56-8,
3-[3-(2-METHYLPHENYL)-1,2,4-OXADIAZOL-5-YL]ANILINE,
3-(3-(o-Tolyl)-1,2,4-oxadiazol-5-yl)aniline,
CTK5G9921,
PKCBB_00811,
DTXSID50589714,
ZINC8701873,
ZX-CM017675,
MFCD08691836,
AKOS004121196,
AJ-58566,
Y-4478,
3-[3- -1,2,4-oxadiazol-5-yl]aniline,
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| Complexity | 299 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 251.106g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 251.289g/mol |
| Monoisotopic Mass | 251.106g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 64.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.1 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number