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1-Bromo-2- (2-Methoxyethoxy) Ethane

CAT: 0127-OR1009387-01Size: 5 gDry Ice: NoHazardous: No
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CAT#:0127-OR1009387-01Size:5 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
54149-17-6
MDL Number
MFCD00000238
Purity
98%
Smiles
COCCOCCBr
Storage Conditions
Store at 2-8°C

Chemical Information

1-Bromo-3,6-dioxaheptane
CAS Number54149-17-6
PubChem CID123532
IUPAC Name1-(2-bromoethoxy)-2-methoxyethane
Molecular FormulaC5H11BrO2
Molecular Weight183.04
XLogP0.5
Topological Polar Surface Area18.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count5
Heavy Atom Count8
Formal Charge0
Complexity41
SMILES
COCCOCCBr
InChI
InChI=1S/C5H11BrO2/c1-7-4-5-8-3-2-6/h2-5H2,1H3
InChIKey
HUXJXNSHCKHFIL-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1-Bromo-3,6-dioxaheptane
CAS: 54149-17-6
CID: 123532
Formula: C5H11BrO2
MW: 183.04
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight183.04
XLogP30.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count5
Exact Mass181.99424
Monoisotopic Mass181.99424
Topological Polar Surface Area18.5 Ų
Heavy Atom Count8
Formal Charge0
Complexity41.4
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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