2-Methoxy-4-nitrobenzyl Bromide - CAS 90434-16-5
Catalog: |
BB039857 |
Product Name: |
2-Methoxy-4-nitrobenzyl Bromide |
CAS: |
90434-16-5 |
Synonyms: |
1-(bromomethyl)-2-methoxy-4-nitrobenzene; 1-(bromomethyl)-2-methoxy-4-nitrobenzene |
IUPAC Name: | 1-(bromomethyl)-2-methoxy-4-nitrobenzene |
Description: | 2-Methoxy-4-nitrobenzyl Bromide (CAS# 90434-16-5) is a useful research chemical. |
Molecular Weight: | 246.06 |
Molecular Formula: | C8H8BrNO3 |
Canonical SMILES: | COC1=C(C=CC(=C1)[N+](=O)[O-])CBr |
InChI: | InChI=1S/C8H8BrNO3/c1-13-8-4-7(10(11)12)3-2-6(8)5-9/h2-4H,5H2,1H3 |
InChI Key: | AQTWRBIMELKBOF-UHFFFAOYSA-N |
LogP: | 3.02150 |
Publication Number | Title | Priority Date |
WO-2019191502-A1 | Compounds for treatment of cardiac arrhythmias and heart failure | 20180329 |
AU-2019243561-A1 | Compounds for treatment of cardiac arrhythmias and heart failure | 20180329 |
CA-3093551-A1 | Compounds for treatment of cardiac arrhythmias and heart failure | 20180329 |
CN-111936466-A | Compounds for the treatment of cardiac arrhythmias and heart failure | 20180329 |
EP-3774734-A1 | Compounds for treatment of cardiac arrhythmias and heart failure | 20180329 |
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: | 2.3 |
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