| CAS Number | 55289-27-5 |
| Catalog Number | AG00DK2U(AGN-PC-0WQWM9) |
| Chemical Name | 3-Chloro-2-methyl-4,6-dinitrophenol |
| IUPAC Name | 3-chloro-2-methyl-4,6-dinitrophenol |
| InChI | InChI=1S/C7H5ClN2O5/c1-3-6(8)4(9(12)13)2-5(7(3)11)10(14)15/h2,11H,1H3 |
| InChI Key | IWXOKGBLUVSBSO-UHFFFAOYSA-N |
| MDL Number | MFCD29764365 |
| Molecular Formula | C7H5ClN2O5 |
| Molecular Weight | 232.5780 |
| SMILES | Cc1c(O)c(cc(c1Cl)[N+](=O)[O-])[N+](=O)[O-] |
| Synonyms | 3-Chloro-2-methyl-4,6-dinitrophenol,
ZINC390824103,
55289-27-5,
|
| Complexity | 276 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 231.989g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 232.576g/mol |
| Monoisotopic Mass | 231.989g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 112A^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