5-(2-Bromoethyl)-1,3-benzodioxole - CAS 57587-02-7
Catalog: |
BB072531 |
Product Name: |
5-(2-Bromoethyl)-1,3-benzodioxole |
CAS: |
57587-02-7 |
Synonyms: |
5-(2-Bromoethyl)-1,3-benzodioxole; 2-(3,4-Methylenedioxyphenyl)ethyl bromide; 3,4-(Methylenedioxy)phenethyl bromide; 4-(2-Bromoethyl)-1,2-methylenedioxybenzene; 5-(2-Bromoethyl)benzo[1,3]dioxole |
IUPAC Name: | 5-(2-bromoethyl)-1,3-benzodioxole |
Molecular Weight: | 229.07 |
Molecular Formula: | C9H9BrO2 |
Canonical SMILES: | C1OC2=C(O1)C=C(C=C2)CCBr |
InChI: | InChI=1S/C9H9BrO2/c10-4-3-7-1-2-8-9(5-7)12-6-11-8/h1-2,5H,3-4,6H2 |
InChI Key: | CCARPEUWUWIJPX-UHFFFAOYSA-N |
Complexity: | 152 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 227.97859 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 227.97859 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 18.5Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.9 |
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