2,2,2-Trifluoro-N-(4-isopropyl-2-nitrophenyl)acetamide - CAS 1338684-26-6
Catalog: |
BB007828 |
Product Name: |
2,2,2-Trifluoro-N-(4-isopropyl-2-nitrophenyl)acetamide |
CAS: |
1338684-26-6 |
Synonyms: |
2,2,2-trifluoro-N-(2-nitro-4-propan-2-ylphenyl)acetamide; 2,2,2-trifluoro-N-(2-nitro-4-propan-2-ylphenyl)acetamide |
IUPAC Name: | 2,2,2-trifluoro-N-(2-nitro-4-propan-2-ylphenyl)acetamide |
Description: | 2,2,2-Trifluoro-N-(4-isopropyl-2-nitrophenyl)acetamide (CAS# 1338684-26-6 ) is a useful research chemical. |
Molecular Weight: | 276.21 |
Molecular Formula: | C11H11F3N2O3 |
Canonical SMILES: | CC(C)C1=CC(=C(C=C1)NC(=O)C(F)(F)F)[N+](=O)[O-] |
InChI: | InChI=1S/C11H11F3N2O3/c1-6(2)7-3-4-8(9(5-7)16(18)19)15-10(17)11(12,13)14/h3-6H,1-2H3,(H,15,17) |
InChI Key: | JCAMLYAKKPJZOJ-UHFFFAOYSA-N |
LogP: | 3.81520 |
Publication Number | Title | Priority Date |
WO-2020007938-A1 | PqsR INVERSE AGONISTS | 20180703 |
AU-2019297409-A1 | PqsR inverse agonists | 20180703 |
EP-3818045-A1 | Pqsr inverse agonists | 20180703 |
EP-2555623-A1 | Flavin derivatives | 20100406 |
JP-2013523811-A | Flavin derivatives | 20100406 |
Complexity: | 352 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 276.0721767 |
Formal Charge: | 0 |
Heavy Atom Count: | 19 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 276.0721767 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 74.9 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.4 |
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