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5- (2-Bromoethoxy) -1,3-dioxaindane

CAT: 0926-JCA82575-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0926-JCA82575-01Size:100 mg
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CAS Number
59825-75-1
MDL Number
MFCD11131673
Smiles
C1OC2=C (O1) C=C (C=C2) OCCBr
Molecular Formula
C9H9BrO3
Molecular Weight
245.07 g/mol
Controlled
No

Chemical Information

5-(2-Bromoethoxy)-2H-1,3-benzodioxole
CAS Number59825-75-1
PubChem CID14385961
IUPAC Name5-(2-bromoethoxy)-1,3-benzodioxole
Molecular FormulaC9H9BrO3
Molecular Weight245.07
XLogP2.3
Topological Polar Surface Area27.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Heavy Atom Count13
Formal Charge0
Complexity165
SMILES
C1OC2=C(O1)C=C(C=C2)OCCBr
InChI
InChI=1S/C9H9BrO3/c10-3-4-11-7-1-2-8-9(5-7)13-6-12-8/h1-2,5H,3-4,6H2
InChIKey
URIVYBLQEIFBAU-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 5-(2-Bromoethoxy)-2H-1,3-benzodioxole
CAS: 59825-75-1
CID: 14385961
Formula: C9H9BrO3
MW: 245.07
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight245.07
XLogP32.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass243.97351
Monoisotopic Mass243.97351
Topological Polar Surface Area27.7 Ų
Heavy Atom Count13
Formal Charge0
Complexity165
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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