3-Bromo-5-fluoro-4-hydroxybenzaldehyde - CAS 185345-46-4
Catalog: |
BB072004 |
Product Name: |
3-Bromo-5-fluoro-4-hydroxybenzaldehyde |
CAS: |
185345-46-4 |
Synonyms: |
3-Bromo-5-fluoro-4-hydroxybenzaldehyde |
IUPAC Name: | 3-bromo-5-fluoro-4-hydroxybenzaldehyde |
Molecular Weight: | 219.01 |
Molecular Formula: | C7H4O2FBr |
Canonical SMILES: | C1=C(C=C(C(=C1F)O)Br)C=O |
InChI: | InChI=1S/C7H4BrFO2/c8-5-1-4(3-10)2-6(9)7(5)11/h1-3,11H |
InChI Key: | FSLFKQZWBRMALB-UHFFFAOYSA-N |
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: | 37.3Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.8 |
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