| CAS Number | 905107-65-5 |
| Catalog Number | AG003M78(AGN-PC-02BHMC) |
| Chemical Name | 5-(Dichloromethyl)-3-(4-nitrophenyl)-1,2,4-oxadiazole |
| IUPAC Name | 5-(dichloromethyl)-3-(4-nitrophenyl)-1,2,4-oxadiazole |
| InChI | InChI=1S/C9H5Cl2N3O3/c10-7(11)9-12-8(13-17-9)5-1-3-6(4-2-5)14(15)16/h1-4,7H |
| InChI Key | WBFJXYWJZJAOME-UHFFFAOYSA-N |
| MDL Number | MFCD01883262 |
| Molecular Formula | C9H5Cl2N3O3 |
| Molecular Weight | 274.0603 |
| SMILES | ClC(c1onc(n1)c1ccc(cc1)[N+](=O)[O-])Cl |
| Synonyms | 5-(DICHLOROMETHYL)-3-(4-NITROPHENYL)-1,2,4-OXADIAZOLE,
905107-65-5,
ACMC-209r6i,
CTK5G8035,
DTXSID50598245,
ANW-39496,
MFCD01883262,
AKOS015848467,
ZINC100014354,
RTR-028451,
AX8231196,
TR-028451,
ST24023778,
V8927,
B-4459,
I14-25216,
C9H5Cl2N3O3,
|
| Complexity | 279 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 272.971g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 274.057g/mol |
| Monoisotopic Mass | 272.971g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 84.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.8 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number