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179690-41-6 | 1,4-Dioxane, 2-bromo-
CAS No: 179690-41-6 Catalog No: AG00277S MDL No:
Product Description
Catalog Number:
AG00277S
Chemical Name:
1,4-Dioxane, 2-bromo-
CAS Number:
179690-41-6
Molecular Formula:
C4H7BrO2
Molecular Weight:
167.0012
IUPAC Name:
2-bromo-1,4-dioxane
InChI:
InChI=1S/C4H7BrO2/c5-4-3-6-1-2-7-4/h4H,1-3H2
InChI Key:
OTVGARFFAAFRAC-UHFFFAOYSA-N
SMILES:
BrC1COCCO1
Properties
Complexity:
57.7
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
165.963g/mol
Formal Charge:
0
Heavy Atom Count:
7
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
167.002g/mol
Monoisotopic Mass:
165.963g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
18.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
Literature
| Title | Journal |
|---|---|
| A fast and selective decarboxylative difunctionalization and cyclization for easy access to gem-dihalo alcohol, ether, ester and bromo-1,4-dioxane. | Chemical communications (Cambridge, England) 20111221 |
| Experimental and theoretical investigation of the kinetics of the reaction of atomic chlorine with 1,4-dioxane. | The journal of physical chemistry. A 20110526 |
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