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87802-24-2 | 1,3-Dioxane, 2-(2-bromo-1,1-dimethylethyl)-
CAS No: 87802-24-2 Catalog No: AG004F7Y MDL No:
Product Description
Catalog Number:
AG004F7Y
Chemical Name:
1,3-Dioxane, 2-(2-bromo-1,1-dimethylethyl)-
CAS Number:
87802-24-2
Molecular Formula:
C8H15BrO2
Molecular Weight:
223.1075
IUPAC Name:
2-(1-bromo-2-methylpropan-2-yl)-1,3-dioxane
InChI:
InChI=1S/C8H15BrO2/c1-8(2,6-9)7-10-4-3-5-11-7/h7H,3-6H2,1-2H3
InChI Key:
SLZZHLVGJBIFBM-UHFFFAOYSA-N
SMILES:
BrCC(C1OCCCO1)(C)C
Properties
Complexity:
119
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
222.026g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
223.11g/mol
Monoisotopic Mass:
222.026g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
18.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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