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5-(2-bromoethyl)-2,2-dimethyl-1,3-dioxane

5-(2-bromoethyl)-2,2-dimethyl-1,3-dioxane

CAS: 97845-58-4

Formula: C8H15BrO2

SMILES: CC1(C)OCC(CCBr)CO1

IUPAC: 5-(2-bromoethyl)-2,2-dimethyl-1,3-dioxane

InChI: InChI=1S/C8H15BrO2/c1-8(2)10-5-7(3-4-9)6-11-8/h7H,3-6H2,1-2H3

Composition: C (43.07%), H (6.78%), Br (35.81%), O (14.34%)

Molar Mass: 223.11

Atom Count: 26

Heavy Atom Count: 11

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 0
Exact Mass 222.025543
Formal Charge 0
FSP3 1
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 0
InChIKey QFLUXIUZRCNNHY-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 48.61
Topological Polar Surface Area 18.46
Polarizability 18.92
Ring Count 1
Rotatable Bond Count 2

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