| CAS Number | 1118786-96-1 |
| Catalog Number | AG019M13 |
| Chemical Name | 2-(3-methyl-4-nitrophenyl)-1,3,4-oxadiazole |
| IUPAC Name | 2-(3-methyl-4-nitrophenyl)-1,3,4-oxadiazole |
| InChI | InChI=1S/C9H7N3O3/c1-6-4-7(9-11-10-5-15-9)2-3-8(6)12(13)14/h2-5H,1H3 |
| InChI Key | OAPXUWIOORWKCM-UHFFFAOYSA-N |
| MDL Number | MFCD11833085 |
| Molecular Formula | C9H7N3O3 |
| Molecular Weight | 205.1702 |
| SMILES | CC1=C([N+]([O-])=O)C=CC(C2OC=NN=2)=C1 |
| Synonyms | 2-(3-methyl-4-nitrophenyl)-1,3,4-oxadiazole,
1118786-96-1,
AC1Q2EJP,
CTK5I3374,
ZINC32627016,
MCULE-6670133026,
NE32304,
EN300-33668,
AB01000145-01,
Z425484904,
|
| Complexity | 243 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 205.049g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 205.173g/mol |
| Monoisotopic Mass | 205.049g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 84.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number