| CAS Number | 1133116-17-2 |
| Catalog Number | AG003M33(AGN-PC-07XUAM) |
| Chemical Name | 5-(1-Chloro-2-methylpropan-2-YL)-3-(3-nitrophenyl)-1,2,4-oxadiazole |
| IUPAC Name | 5-(1-chloro-2-methylpropan-2-yl)-3-(3-nitrophenyl)-1,2,4-oxadiazole |
| InChI | InChI=1S/C12H12ClN3O3/c1-12(2,7-13)11-14-10(15-19-11)8-4-3-5-9(6-8)16(17)18/h3-6H,7H2,1-2H3 |
| InChI Key | AZOFBWUQAQMFFL-UHFFFAOYSA-N |
| MDL Number | MFCD11855935 |
| Molecular Formula | C12H12ClN3O3 |
| Molecular Weight | 281.6950 |
| SMILES | O=[N+](C1=CC(C2=NOC(C(C)(C)CCl)=N2)=CC=C1)[O-] |
| Synonyms | 5-(1-CHLORO-2-METHYLPROPAN-2-YL)-3-(3-NITROPHENYL)-1,2,4-OXADIAZOLE,
1133116-17-2,
ACMC-2099j4,
CTK4A8243,
DTXSID80674980,
ANW-16622,
MFCD11855935,
ZINC38537418,
AKOS015850583,
RTR-002577,
AJ-96116,
CJ-19461,
AX8231099,
TR-002577,
ST24023708,
Z7459,
A-5011,
I14-25313,
C12H12ClN3O3,
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| Complexity | 335 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 281.057g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 281.696g/mol |
| Monoisotopic Mass | 281.057g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 84.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.4 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number