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1-Chloro-2- (2-methoxyethoxy) ethane

CAT: 0127-OR1073670-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0127-OR1073670-01Size:100 mg
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CAS Number
52808-36-3
MDL Number
MFCD00068779
Purity
95%
Smiles
COCCOCCCl

Chemical Information

Ethane, 1-(2-chloroethoxy)-2-methoxy-
CAS Number52808-36-3
PubChem CID94934
IUPAC Name1-(2-chloroethoxy)-2-methoxyethane
Molecular FormulaC5H11ClO2
Molecular Weight138.59
XLogP0.4
Topological Polar Surface Area18.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count5
Heavy Atom Count8
Formal Charge0
Complexity41
SMILES
COCCOCCCl
InChI
InChI=1S/C5H11ClO2/c1-7-4-5-8-3-2-6/h2-5H2,1H3
InChIKey
JIQXRLOYKOJECL-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Ethane, 1-(2-chloroethoxy)-2-methoxy-
CAS: 52808-36-3
CID: 94934
Formula: C5H11ClO2
MW: 138.59
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight138.59
XLogP30.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count5
Exact Mass138.0447573
Monoisotopic Mass138.0447573
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