N-Acetyl-3-nitro-2,6-dimethylaniline - CAS 5416-12-6
Catalog: |
BB061216 |
Product Name: |
N-Acetyl-3-nitro-2,6-dimethylaniline |
CAS: |
5416-12-6 |
Synonyms: |
3'-Nitro-2',6'-acetoxylidide; N-(2,6-Dimethyl-3-nitrophenyl)acetamide; N-Acetyl-2,6-dimethyl-3-nitroaniline; NSC 11344 |
IUPAC Name: | N-(2,6-dimethyl-3-nitrophenyl)acetamide |
Description: | Useful compound in the synthesis of furopyridinylaminoindazoles and imidazoles as Raf kinase inhibitors and in the synthesis of peptides, as hepatitis C virus inhibitors. |
Molecular Weight: | 208.21 |
Molecular Formula: | C10H12N2O3 |
Canonical SMILES: | CC1=C(C(=C(C=C1)[N+](=O)[O-])C)NC(=O)C |
InChI: | InChI=1S/C10H12N2O3/c1-6-4-5-9(12(14)15)7(2)10(6)11-8(3)13/h4-5H,1-3H3,(H,11,13) |
InChI Key: | UNIUJJXVDIYVQM-UHFFFAOYSA-N |
Solubility: | Methanol |
Appearance: | White Solid |
Storage: | -20°C |
Complexity: | 262 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 208.08479225 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 208.08479225 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 74.9Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.7 |
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