| CAS Number | 905107-54-2 |
| Catalog Number | AG003M77(AGN-PC-07XUAJ) |
| Chemical Name | 5-(Dichloromethyl)-3-(3-nitrophenyl)-1,2,4-oxadiazole |
| IUPAC Name | 5-(dichloromethyl)-3-(3-nitrophenyl)-1,2,4-oxadiazole |
| InChI | InChI=1S/C9H5Cl2N3O3/c10-7(11)9-12-8(13-17-9)5-2-1-3-6(4-5)14(15)16/h1-4,7H |
| InChI Key | JYOMJJFPJLSWKA-UHFFFAOYSA-N |
| MDL Number | MFCD01883255 |
| Molecular Formula | C9H5Cl2N3O3 |
| Molecular Weight | 274.0603 |
| SMILES | ClC(c1onc(n1)c1cccc(c1)[N+](=O)[O-])Cl |
| Synonyms | 5-(DICHLOROMETHYL)-3-(3-NITROPHENYL)-1,2,4-OXADIAZOLE,
905107-54-2,
ACMC-209r6h,
CTK5G8034,
DTXSID50674977,
ANW-39495,
MFCD01883255,
AKOS015848441,
ZINC100014351,
RTR-028450,
AX8231195,
TR-028450,
ST24023777,
V8926,
B-4285,
I14-25215,
C9H5Cl2N3O3,
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| Complexity | 287 |
| 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
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Certificate of Analysis
Lot Number