3-Bromo-5-ethoxy-4-hydroxybenzonitrile - CAS 330462-57-2
Catalog: |
BB046938 |
Product Name: |
3-Bromo-5-ethoxy-4-hydroxybenzonitrile |
CAS: |
330462-57-2 |
Synonyms: |
3-Bromo-5-Ethoxy-4-Hydroxy-Benzonitrile; 3-bromo-5-ethoxy-4-hydroxybenzenecarbonitrile; Benzonitrile, 3-bromo-5-ethoxy-4-hydroxy- |
IUPAC Name: | 3-bromo-5-ethoxy-4-hydroxybenzonitrile |
Description: | 3-Bromo-5-ethoxy-4-hydroxybenzonitrile (CAS# 330462-57-2 ) is a useful research chemical. |
Molecular Weight: | 242.07 |
Molecular Formula: | C9H8BrNO2 |
Canonical SMILES: | CCOC1=C(C(=CC(=C1)C#N)Br)O |
InChI: | InChI=1S/C9H8BrNO2/c1-2-13-8-4-6(5-11)3-7(10)9(8)12/h3-4,12H,2H2,1H3 |
InChI Key: | LJCGZWYWRSRSMU-UHFFFAOYSA-N |
Boiling Point: | 295.7 °C at 760 mmHg |
Purity: | 95 % |
Density: | 1.62 g/cm3 |
Complexity: | 213 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 240.97384 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 240.97384 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 53.2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.3 |
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