| CAS Number | 2117730-84-2 |
| Catalog Number | AG01DIM8 |
| Chemical Name | 2-chloro-5-nitro-N-(2,3,4,5,6-pentadeuteriophenyl)benzamide |
| IUPAC Name | 2-chloro-5-nitro-N-(2,3,4,5,6-pentadeuteriophenyl)benzamide |
| InChI | InChI=1S/C13H9ClN2O3/c14-12-7-6-10(16(18)19)8-11(12)13(17)15-9-4-2-1-3-5-9/h1-8H,(H,15,17)/i1D,2D,3D,4D,5D |
| InChI Key | DNTSIBUQMRRYIU-RALIUCGRSA-N |
| MDL Number | MFCD18428053 |
| Molecular Formula | C13H4ClD5N2O3 |
| Molecular Weight | 281.7060 |
| SMILES | [2H]c1c([2H])c([2H])c(c(c1[2H])[2H])NC(=O)c1cc(ccc1Cl)[N+](=O)[O-] |
| Synonyms | 2-chloro-5-nitro-N-(2,3,4,5,6-pentadeuteriophenyl)benzamide,
2117730-84-2,
|
| Complexity | 339 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 281.062g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 5 |
| Molecular Weight | 281.707g/mol |
| Monoisotopic Mass | 281.062g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 74.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.3 |
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Certificate of Analysis
Lot Number