| CAS Number | 2137605-37-7 |
| Catalog Number | AG01EIRU |
| Chemical Name | 1-(2-methylbutan-2-yl)-2,4-dinitrobenzene |
| IUPAC Name | 1-(2-methylbutan-2-yl)-2,4-dinitrobenzene |
| InChI | InChI=1S/C11H14N2O4/c1-4-11(2,3)9-6-5-8(12(14)15)7-10(9)13(16)17/h5-7H,4H2,1-3H3 |
| InChI Key | FCISIOORPIFQLL-UHFFFAOYSA-N |
| MDL Number | MFCD31457083 |
| Molecular Formula | C11H14N2O4 |
| Molecular Weight | 238.2399 |
| SMILES | CCC(C1=C(N(=O)=O)C=C(N(=O)=O)C=C1)(C)C |
| Synonyms | SCHEMBL18925062,
1-(2-methylbutan-2-yl)-2,4-dinitrobenzene,
2137605-37-7,
|
| Complexity | 306 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 238.095g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 238.243g/mol |
| Monoisotopic Mass | 238.095g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 91.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.8 |
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Certificate of Analysis
Lot Number