| CAS Number | 76629-46-4 |
| Catalog Number | AG00ICR3(AGN-PC-0NJUW8) |
| Chemical Name | 3-Methyl-5-(2-nitrophenyl)-1,2,4-oxadiazole |
| IUPAC Name | 3-methyl-5-(2-nitrophenyl)-1,2,4-oxadiazole |
| InChI | InChI=1S/C9H7N3O3/c1-6-10-9(15-11-6)7-4-2-3-5-8(7)12(13)14/h2-5H,1H3 |
| InChI Key | ITACPJRXFXXTED-UHFFFAOYSA-N |
| MDL Number | MFCD28369608 |
| Molecular Formula | C9H7N3O3 |
| Molecular Weight | 205.1702 |
| SMILES | Cc1noc(n1)c1ccccc1[N+](=O)[O-] |
| Synonyms | 3-methyl-5-(2-nitrophenyl)-1,2,4-oxadiazole,
76629-46-4,
SCHEMBL6367373,
ITACPJRXFXXTED-UHFFFAOYSA-N,
ZINC39264137,
1,2,4-Oxadiazole, 3-methyl-5-(2-nitrophenyl)-,
3-methyl-5-(o-nitrophenyl)-1,2,4-oxadiazole,
|
| 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 | 2 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number