2',4'-Difluoro-6'-nitroacetanilide - CAS 441-30-5
Catalog: |
BB025532 |
Product Name: |
2',4'-Difluoro-6'-nitroacetanilide |
CAS: |
441-30-5 |
Synonyms: |
N-(2,4-difluoro-6-nitrophenyl)acetamide; N-(2,4-difluoro-6-nitrophenyl)acetamide |
IUPAC Name: | N-(2,4-difluoro-6-nitrophenyl)acetamide |
Description: | 2',4'-Difluoro-6'-nitroacetanilide (CAS# 441-30-5) is a useful research chemical. |
Molecular Weight: | 216.14 |
Molecular Formula: | C8H6F2N2O3 |
Canonical SMILES: | CC(=O)NC1=C(C=C(C=C1[N+](=O)[O-])F)F |
InChI: | InChI=1S/C8H6F2N2O3/c1-4(13)11-8-6(10)2-5(9)3-7(8)12(14)15/h2-3H,1H3,(H,11,13) |
InChI Key: | ZBECJQMWJBFRCL-UHFFFAOYSA-N |
Boiling Point: | 358.6 °C at 760 mmHg |
Density: | 1.513 g/cm3 |
LogP: | 2.42760 |
Publication Number | Title | Priority Date |
AU-2007319061-A1 | Heterocyclyc sulfonamides having Edg-I antagonistic activity | 20061110 |
CA-2668785-A1 | Heterocyclyc sulfonamides having edg-i antagonistic activity | 20061110 |
EP-2094670-A1 | Heterocyclyc sulfonamides having edg-i antagonistic activity | 20061110 |
JP-2010509301-A | Heterocyclic sulfonamides having EDG-1 antagonistic activity | 20061110 |
KR-20090089338-A | Heterocyclic sulfonamides having EDD-I antagonistic activity | 20061110 |
Complexity: | 269 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 216.03464838 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 216.03464838 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 74.9 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.7 |
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