2-Acetamido-4-methoxy-5-nitrotoluene - CAS 361162-90-5
Catalog: |
BB022865 |
Product Name: |
2-Acetamido-4-methoxy-5-nitrotoluene |
CAS: |
361162-90-5 |
Synonyms: |
N-(5-methoxy-2-methyl-4-nitrophenyl)acetamide; N-(5-methoxy-2-methyl-4-nitrophenyl)acetamide |
IUPAC Name: | N-(5-methoxy-2-methyl-4-nitrophenyl)acetamide |
Description: | 2-Acetamido-4-methoxy-5-nitrotoluene (CAS# 361162-90-5) is a useful research chemical. |
Molecular Weight: | 224.21 |
Molecular Formula: | C10H12N2O4 |
Canonical SMILES: | CC1=CC(=C(C=C1NC(=O)C)OC)[N+](=O)[O-] |
InChI: | InChI=1S/C10H12N2O4/c1-6-4-9(12(14)15)10(16-3)5-8(6)11-7(2)13/h4-5H,1-3H3,(H,11,13) |
InChI Key: | UNGJDCICXXTFHD-UHFFFAOYSA-N |
LogP: | 3.43170 |
Publication Number | Title | Priority Date |
CA-2802641-A1 | Pyrazolo [1, 5a] pyrimidine and thieno [3, 2b] pyrimidine derivatives as irak4 modulators | 20100713 |
CA-2802641-C | Pyrazolo [1, 5a] pyrimidine and thieno [3, 2b] pyrimidine derivatives as irak4 modulators | 20100713 |
EP-2593457-A1 | Pyrazolo [1, 5a]pyrimidine and thieno [3, 2b]pyrimidine derivatives as irak4 modulators | 20100713 |
EP-2593457-B1 | Pyrazolo[1,5a]pyrimidine and thieno[3,2b]pyrimidine derivatives as irak4 modulators | 20100713 |
EP-3252054-A1 | Pyrazolo[1,5a]pyrimidine derivatives as irak4 modulators | 20100713 |
Complexity: | 277 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 224.07970687 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 224.07970687 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 84.2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.3 |
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