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123920-32-1 | 6,8-Dioxabicyclo[3.2.1]octane, 4-bromo-7-phenyl-
CAS No: 123920-32-1 Catalog No: AG000L7O MDL No:
Product Description
Catalog Number:
AG000L7O
Chemical Name:
6,8-Dioxabicyclo[3.2.1]octane, 4-bromo-7-phenyl-
CAS Number:
123920-32-1
Molecular Formula:
C12H13BrO2
Molecular Weight:
269.1344
IUPAC Name:
4-bromo-7-phenyl-6,8-dioxabicyclo[3.2.1]octane
InChI:
InChI=1S/C12H13BrO2/c13-9-6-7-10-11(15-12(9)14-10)8-4-2-1-3-5-8/h1-5,9-12H,6-7H2
InChI Key:
YGEABVREKIGWJD-UHFFFAOYSA-N
SMILES:
BrC1CCC2OC1OC2c1ccccc1
Properties
Complexity:
228
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
268.01g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
269.138g/mol
Monoisotopic Mass:
268.01g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
18.5A^2
Undefined Atom Stereocenter Count:
4
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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