4-Acetamido-2-methylnitrobenzene - CAS 51366-39-3
Catalog: |
BB027420 |
Product Name: |
4-Acetamido-2-methylnitrobenzene |
CAS: |
51366-39-3 |
Synonyms: |
N-(3-methyl-4-nitrophenyl)acetamide |
IUPAC Name: | N-(3-methyl-4-nitrophenyl)acetamide |
Description: | 4-Acetamido-2-methylnitrobenzene (CAS# 51366-39-3) is a useful research chemical compound. |
Molecular Weight: | 194.19 |
Molecular Formula: | C9H10N2O3 |
Canonical SMILES: | CC1=C(C=CC(=C1)NC(=O)C)[N+](=O)[O-] |
InChI: | InChI=1S/C9H10N2O3/c1-6-5-8(10-7(2)12)3-4-9(6)11(13)14/h3-5H,1-2H3,(H,10,12) |
InChI Key: | HTOMFNRBNSBPIU-UHFFFAOYSA-N |
Boiling Point: | 391.9 °C at 760 mmHg |
Density: | 1.289 g/cm3 |
Appearance: | Orange crystalline solid |
MDL: | MFCD00628976 |
LogP: | 2.45780 |
Publication Number | Title | Priority Date |
WO-2019156439-A1 | Compounds for inhibiting tnik and medical uses thereof | 20180207 |
AU-2019217094-A1 | Compounds for inhibiting TNIK and medical uses thereof | 20180207 |
CN-111836801-A | Compound for inhibiting TNIK and medical application thereof | 20180207 |
EP-3749648-A1 | Compounds for inhibiting tnik and medical uses thereof | 20180207 |
KR-20200108078-A | TNIK inhibitory compounds and their pharmaceutical use | 20180207 |
Complexity: | 237 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 194.06914219 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 194.06914219 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 74.9 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2 |
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