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2-(2-Bromoethyl)-1,3-dioxane

CAT: 0572-TRC-B687175-10GSize: 10 gDry Ice: NoHazardous: No
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CAT#:0572-TRC-B687175-10GSize:10 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
33884-43-4
Synonyms
2-(2-Bromoethyl)-m-dioxane; 2-(1,3-Dioxan-2-yl)ethyl Bromide; 2-(2-Bromoethyl)-1,3-dioxane; 2-(beta-Bromoethyl)-1,3-dioxane; 3,3-(Trimethylenedioxy)propyl Bromide;
Hazard Statement
No Data Available
Smiles
BrCCC1OCCCO1
Molecular Formula
C6H11BrO2
Molecular Weight
195.05
Shipping Conditions
Room Temperature

Chemical Information

1,3-Dioxane, 2-(2-bromoethyl)-
CAS Number33884-43-4
PubChem CID520656
IUPAC Name2-(2-bromoethyl)-1,3-dioxane
Molecular FormulaC6H11BrO2
Molecular Weight195.05
XLogP1.3
Topological Polar Surface Area18.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Heavy Atom Count9
Formal Charge0
Complexity71
SMILES
C1COC(OC1)CCBr
InChI
InChI=1S/C6H11BrO2/c7-3-2-6-8-4-1-5-9-6/h6H,1-5H2
InChIKey
WMDHQEHPOVOEOG-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1,3-Dioxane, 2-(2-bromoethyl)-
CAS: 33884-43-4
CID: 520656
Formula: C6H11BrO2
MW: 195.05
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight195.05
XLogP31.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass193.99424
Monoisotopic Mass193.99424
Topological Polar Surface Area18.5 Ų
Heavy Atom Count9
Formal Charge0
Complexity71.5
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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