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2-Chloroethyl Acetate

CAT: 0024-sc-396797Size: 25 mLDry Ice: NoHazardous: No
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CAT#:0024-sc-396797Size:25 mL
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CAS Number
542-58-5

Chemical Information

beta-Chloroethyl acetate
CAS Number542-58-5
PubChem CID10959
IUPAC Name2-chloroethyl acetate
Molecular FormulaC4H7ClO2
Molecular Weight122.55
XLogP0.7
Topological Polar Surface Area26.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Heavy Atom Count7
Formal Charge0
Complexity62
SMILES
CC(=O)OCCCl
InChI
InChI=1S/C4H7ClO2/c1-4(6)7-3-2-5/h2-3H2,1H3
InChIKey
VIRWKAJWTKAIMA-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of beta-Chloroethyl acetate
CAS: 542-58-5
CID: 10959
Formula: C4H7ClO2
MW: 122.55
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight122.55
XLogP30.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Exact Mass122.0134572
Monoisotopic Mass122.0134572
Topological Polar Surface Area26.3 Ų
Heavy Atom Count7
Formal Charge0
Complexity62.7
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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