| CAS Number | 1251924-56-7 |
| Catalog Number | AG01A9Z3 |
| Chemical Name | 1-(2,4-dimethyl-3,5-dinitrophenyl)ethan-1-one |
| IUPAC Name | 1-(2,4-dimethyl-3,5-dinitrophenyl)ethanone |
| InChI | InChI=1S/C10H10N2O5/c1-5-8(7(3)13)4-9(11(14)15)6(2)10(5)12(16)17/h4H,1-3H3 |
| InChI Key | QBSQTWSZUGJUBI-UHFFFAOYSA-N |
| MDL Number | MFCD16817503 |
| Molecular Formula | C10H10N2O5 |
| Molecular Weight | 238.1968 |
| SMILES | CC(C1=C(C)C([N+]([O-])=O)=C(C)C([N+]([O-])=O)=C1)=O |
| Synonyms | 1-(2,4-dimethyl-3,5-dinitrophenyl)ethan-1-one,
1251924-56-7,
AC1Q1JBO,
ZINC57218507,
NE18343,
EN300-66597,
|
| Complexity | 346 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 238.059g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 238.199g/mol |
| Monoisotopic Mass | 238.059g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 109A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number