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20262-34-4 | 1,3-Dioxepane, 5,6-dibromo-
CAS No: 20262-34-4 Catalog No: AG0028C4 MDL No:
Product Description
Catalog Number:
AG0028C4
Chemical Name:
1,3-Dioxepane, 5,6-dibromo-
CAS Number:
20262-34-4
Molecular Formula:
C5H8Br2O2
Molecular Weight:
259.9238
IUPAC Name:
5,6-dibromo-1,3-dioxepane
InChI:
InChI=1S/C5H8Br2O2/c6-4-1-8-3-9-2-5(4)7/h4-5H,1-3H2
InChI Key:
OMZULIAXFBVADQ-UHFFFAOYSA-N
SMILES:
BrC1COCOCC1Br
NSC Number:
14667
Properties
Complexity:
79
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
259.887g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
259.925g/mol
Monoisotopic Mass:
257.889g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
18.5A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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