2-Bromo-4-methoxybenzonitrile - CAS 140860-51-1
Catalog: |
BB009135 |
Product Name: |
2-Bromo-4-methoxybenzonitrile |
CAS: |
140860-51-1 |
Synonyms: |
2-bromo-4-methoxybenzonitrile; 2-bromo-4-methoxybenzonitrile |
IUPAC Name: | 2-bromo-4-methoxybenzonitrile |
Description: | 2-Bromo-4-methoxybenzonitrile (CAS# 140860-51-1) is a useful research chemical. |
Molecular Weight: | 212.04 |
Molecular Formula: | C8H6BrNO |
Canonical SMILES: | COC1=CC(=C(C=C1)C#N)Br |
InChI: | InChI=1S/C8H6BrNO/c1-11-7-3-2-6(5-10)8(9)4-7/h2-4H,1H3 |
InChI Key: | IZFNZTNQBIHNCD-UHFFFAOYSA-N |
Storage: | Sealed in dry, Room Temperature |
MDL: | MFCD09056764 |
LogP: | 2.32938 |
Publication Number | Title | Priority Date |
CN-112939872-A | Spirofluorene compound, material containing spirofluorene compound and organic electroluminescent device | 20210201 |
US-2021299100-A1 | Biaryl derivatives as yap/taz-tead protein-protein interaction inhibitors | 20200316 |
WO-2021186324-A1 | Biaryl derivatives as yap/taz-tead protein-protein interaction inhibitors | 20200316 |
WO-2019219820-A1 | Substituted condensed thiophenes as modulators of sting | 20180516 |
AU-2019270394-A1 | Substituted condensed thiophenes as modulators of sting | 20180516 |
Complexity: | 174 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 210.96328 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 210.96328 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 33 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.3 |
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