2-Bromo-5-nitrophenetole - CAS 423165-33-7
Catalog: |
BB025104 |
Product Name: |
2-Bromo-5-nitrophenetole |
CAS: |
423165-33-7 |
Synonyms: |
1-bromo-2-ethoxy-4-nitrobenzene; 1-bromo-2-ethoxy-4-nitrobenzene |
IUPAC Name: | 1-bromo-2-ethoxy-4-nitrobenzene |
Description: | 2-Bromo-5-nitrophenetole (CAS# 423165-33-7) is a useful research chemical. |
Molecular Weight: | 246.06 |
Molecular Formula: | C8H8BrNO3 |
Canonical SMILES: | CCOC1=C(C=CC(=C1)[N+](=O)[O-])Br |
InChI: | InChI=1S/C8H8BrNO3/c1-2-13-8-5-6(10(11)12)3-4-7(8)9/h3-5H,2H2,1H3 |
InChI Key: | ZALXYXWTUXLPBJ-UHFFFAOYSA-N |
Boiling Point: | 314.8 ℃ at 760 mmHg |
Density: | 1.557 g/cm3 |
Appearance: | Yellow or pale brown crystalline powder |
MDL: | MFCD03790890 |
LogP: | 3.27920 |
Publication Number | Title | Priority Date |
CN-111377907-A | Polysubstituted phenylamino pyrimidine derivative and preparation method and application thereof | 20181226 |
WO-2020135507-A1 | Polysubstituted anilinopyrimidine derivative and preparation method and application thereof | 20181226 |
AU-2018352699-A1 | Pyrimidine TBK/IKKE inhibitor compounds and uses thereof | 20171017 |
CA-3078579-A1 | Pyrimidine tbk/ikk.epsilon. inhibitor compounds and uses thereof | 20171017 |
CN-111247135-A | Pyrimidine T-K/I-K-P inhibitor compound and application thereof | 20171017 |
PMID | Publication Date | Title | Journal |
19406019 | 20090401 | Low level determination of 4-amino-2-ethoxy-cinnamic acid and its ethyl ester in a drug substance and its formulation prototypes by HPLC-UV-DAD | Journal of chromatographic science |
Complexity: | 183 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 244.96876 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 244.96876 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 55 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.8 |
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