6,7-Dibromo-1,4-dihydro-1,4-epoxynaphthalene - CAS 106750-88-3
Catalog: |
BB068153 |
Product Name: |
6,7-Dibromo-1,4-dihydro-1,4-epoxynaphthalene |
CAS: |
106750-88-3 |
Synonyms: |
6,7-Dibromo-1,4-epoxy-1,4-dihydronaphthalene; 6,7-Dibromo-1,4-dihydro-1,4-epoxynaphthalene |
IUPAC Name: | 4,5-dibromo-11-oxatricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraene |
Description: | 6,7-Dibromo-1,4-dihydro-1,4-epoxynaphthalene is a building block to synthesize Iptycene. |
Molecular Weight: | 301.96 |
Molecular Formula: | C10H6Br2O |
Canonical SMILES: | C1=CC2C3=CC(=C(C=C3C1O2)Br)Br |
InChI: | InChI=1S/C10H6Br2O/c11-7-3-5-6(4-8(7)12)10-2-1-9(5)13-10/h1-4,9-10H |
InChI Key: | HFEYIRLVIARHFU-UHFFFAOYSA-N |
References: | Hart, H., et al. Tetrahedron, 42, 1641 (1986). |
Complexity: | 229 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 301.87649 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 299.87854 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 9.2Ų |
Undefined Atom Stereocenter Count: | 2 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.2 |
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