2-Bromo-4-methoxynitrobenzene - CAS 98447-30-4
Catalog: |
BB042166 |
Product Name: |
2-Bromo-4-methoxynitrobenzene |
CAS: |
98447-30-4 |
Synonyms: |
2-bromo-4-methoxy-1-nitrobenzene; 2-bromo-4-methoxy-1-nitrobenzene |
IUPAC Name: | 2-bromo-4-methoxy-1-nitrobenzene |
Description: | 2-Bromo-4-methoxynitrobenzene (CAS# 98447-30-4) is a useful research chemical. |
Molecular Weight: | 232.03 |
Molecular Formula: | C7H6BrNO3 |
Canonical SMILES: | COC1=CC(=C(C=C1)[N+](=O)[O-])Br |
InChI: | InChI=1S/C7H6BrNO3/c1-12-5-2-3-7(9(10)11)6(8)4-5/h2-4H,1H3 |
InChI Key: | RYKPDLZQIABTMY-UHFFFAOYSA-N |
Boiling Point: | 279.409 °C at 760 mmHg |
Density: | 1.64 g/cm3 |
LogP: | 2.88910 |
Publication Number | Title | Priority Date |
WO-2021188880-A1 | Benzenesulfonamide derivatives as trap1 modulators and uses thereof | 20200320 |
WO-2020257495-A1 | Inhibitors of erythrocyte band 3 tyrosine phosphorylation and uses thereof | 20190618 |
CN-107325002-A | A kind of synthetic method using aryl carboxylic acid as the aryl halide of raw material | 20170628 |
CN-107325002-B | Method for synthesizing aryl halide by taking aryl carboxylic acid as raw material | 20170628 |
EP-3484878-A1 | Bicyclic heteroaryl substituted compounds | 20160714 |
Complexity: | 171 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 230.95311 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 230.95311 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 55 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.5 |
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