| CAS Number | 847837-42-7 |
| Catalog Number | AG019OFN |
| Chemical Name | 2-(1-Chloroethyl)-5-(4-nitrophenyl)-1,3,4-oxadiazole |
| IUPAC Name | 2-(1-chloroethyl)-5-(4-nitrophenyl)-1,3,4-oxadiazole |
| InChI | InChI=1S/C10H8ClN3O3/c1-6(11)9-12-13-10(17-9)7-2-4-8(5-3-7)14(15)16/h2-6H,1H3 |
| InChI Key | RIVSJAATNOYXMI-UHFFFAOYSA-N |
| MDL Number | MFCD07323953 |
| Molecular Formula | C10H8ClN3O3 |
| Molecular Weight | 253.6418 |
| SMILES | CC(C1OC(C2=CC=C([N+]([O-])=O)C=C2)=NN=1)Cl |
| Synonyms | 2-(1-chloroethyl)-5-(4-nitrophenyl)-1,3,4-oxadiazole,
847837-42-7,
AC1NLQZL,
AC1Q2B0F,
CTK6A6118,
AKOS001132601,
AKOS016889109,
MCULE-8736539677,
NE23844,
EN300-13844,
SR-01000071690,
SR-01000071690-1,
ZINC04207066,
CID4962681,
|
| Complexity | 279 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 253.025g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 253.642g/mol |
| Monoisotopic Mass | 253.025g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 84.7A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number