2-Bromo-4-methyl-5-nitroanisole - CAS 41447-19-2
Catalog: |
BB024887 |
Product Name: |
2-Bromo-4-methyl-5-nitroanisole |
CAS: |
41447-19-2 |
Synonyms: |
1-bromo-2-methoxy-5-methyl-4-nitrobenzene; 1-bromo-2-methoxy-5-methyl-4-nitrobenzene |
IUPAC Name: | 1-bromo-2-methoxy-5-methyl-4-nitrobenzene |
Description: | 2-Bromo-4-methyl-5-nitroanisole (CAS# 41447-19-2 ) is a useful research chemical. |
Molecular Weight: | 246.06 |
Molecular Formula: | C8H8BrNO3 |
Canonical SMILES: | CC1=CC(=C(C=C1[N+](=O)[O-])OC)Br |
InChI: | InChI=1S/C8H8BrNO3/c1-5-3-6(9)8(13-2)4-7(5)10(11)12/h3-4H,1-2H3 |
InChI Key: | JZBCPWGVPOVHAC-UHFFFAOYSA-N |
Boiling Point: | 314.6 ℃ at 760 mmHg |
Density: | 1.559 g/cm3 |
LogP: | 3.19750 |
Publication Number | Title | Priority Date |
CA-3066166-A1 | New substituted azaindoline derivatives as nik inhibitors | 20170706 |
CN-110831940-A | Novel substituted azaindoline derivatives as NIK inhibitors | 20170706 |
EP-3649127-A1 | New substituted azaindoline derivatives as nik inhibitors | 20170706 |
KR-20200024852-A | Novel Substituted Azaindolin Derivatives as NIK Inhibitors | 20170706 |
WO-2019008011-A1 | NOVEL SUBSTITUTED AZAINDOLINE DERIVATIVES AS NIK INHIBITORS | 20170706 |
Complexity: | 194 |
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: | 1 |
Topological Polar Surface Area: | 55 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.8 |
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