4-Bromo-2-fluoro-6-hydroxybenzaldehyde - CAS 1427438-90-1
Catalog: |
BB076940 |
Product Name: |
4-Bromo-2-fluoro-6-hydroxybenzaldehyde |
CAS: |
1427438-90-1 |
Synonyms: |
Benzaldehyde, 4-bromo-2-fluoro-6-hydroxy- |
IUPAC Name: | 4-bromo-2-fluoro-6-hydroxybenzaldehyde |
Molecular Weight: | 219.01 |
Molecular Formula: | C7H4BrFO2 |
Canonical SMILES: | C1=C(C=C(C(=C1O)C=O)F)Br |
InChI: | InChI=1S/C7H4BrFO2/c8-4-1-6(9)5(3-10)7(11)2-4/h1-3,11H |
InChI Key: | HUGAOJJHGWGVDT-UHFFFAOYSA-N |
Boiling Point: | 258.3±40.0°C at 760 mmHg |
Purity: | ≥95% |
Density: | 1.8±0.1 g/cm3 |
Storage: | Store at 2-8°C under inert gas (nitrogen or argon) |
Complexity: | 153 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 217.93787 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 217.93787 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 37.3 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.4 |
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