5-Bromo-6-fluoro-1,3-benzodioxole - CAS 94670-75-4
Catalog: |
BB072203 |
Product Name: |
5-Bromo-6-fluoro-1,3-benzodioxole |
CAS: |
94670-75-4 |
Synonyms: |
5-Bromo-6-fluorobenzo[d][1,3]dioxole; 5-bromo-6-fluoro-1,3-benzodioxole; 1,3-Benzodioxole, 5-bromo-6-fluoro-; 5-bromo-6-fluoro-1,3-dioxaindane; 5-BROMO-6-FLUORO-2H-1,3-BENZODIOXOLE |
IUPAC Name: | 5-bromo-6-fluoro-1,3-benzodioxole |
Molecular Weight: | 219.01 |
Molecular Formula: | C7H4BrFO2 |
Canonical SMILES: | C1OC2=CC(=C(C=C2O1)Br)F |
InChI: | InChI=1S/C7H4BrFO2/c8-4-1-6-7(2-5(4)9)11-3-10-6/h1-2H,3H2 |
InChI Key: | DDBULQVCBPPQPN-UHFFFAOYSA-N |
Complexity: | 155 |
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: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 217.93787 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 18.5Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.5 |
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