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3-Chlorooxetane

CAT: 0127-OR309091Size: 1 EachDry Ice: NoHazardous: No
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CAS Number
4741-80-4
MDL Number
MFCD18909294
Purity
=95%
Smiles
ClC1COC1

Chemical Information

3-Chlorooxetane
CAS Number4741-80-4
PubChem CID19433434
IUPAC Name3-chlorooxetane
Molecular FormulaC3H5ClO
Molecular Weight92.52
XLogP0.5
Topological Polar Surface Area9.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Heavy Atom Count5
Formal Charge0
Complexity33
SMILES
C1C(CO1)Cl
InChI
InChI=1S/C3H5ClO/c4-3-1-5-2-3/h3H,1-2H2
InChIKey
JHXMBKTYQFGDQM-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-Chlorooxetane
CAS: 4741-80-4
CID: 19433434
Formula: C3H5ClO
MW: 92.52
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight92.52
XLogP30.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Exact Mass92.0028925
Monoisotopic Mass92.0028925
Topological Polar Surface Area9.2 Ų
Heavy Atom Count5
Formal Charge0
Complexity33.9
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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