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Ethyl Beta-chloropropionate

CAT: 0572-TRC-E678825-5GSize: 5 gDry Ice: NoHazardous: No
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CAT#:0572-TRC-E678825-5GSize:5 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
623-71-2
Synonyms
3-Chloropropionic acid ethyl ester; Ethyl 3-chloropropanoateEthyl 3-chloropropionate; NSC 8845
Hazard Statement
No Data Available
Smiles
CCOC(=O)CCCl
Molecular Formula
C5H9ClO2
Molecular Weight
136.58
Shipping Conditions
Room Temperature

Chemical Information

Ethyl 3-chloropropionate
CAS Number623-71-2
PubChem CID69341
IUPAC Nameethyl 3-chloropropanoate
Molecular FormulaC5H9ClO2
Molecular Weight136.58
XLogP1
Topological Polar Surface Area26.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count4
Heavy Atom Count8
Formal Charge0
Complexity72
SMILES
CCOC(=O)CCCl
InChI
InChI=1S/C5H9ClO2/c1-2-8-5(7)3-4-6/h2-4H2,1H3
InChIKey
ZCLGVXACCAZJOX-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Ethyl 3-chloropropionate
CAS: 623-71-2
CID: 69341
Formula: C5H9ClO2
MW: 136.58
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight136.58
XLogP31
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count4
Exact Mass136.0291072
Monoisotopic Mass136.0291072
Topological Polar Surface Area26.3 Ų
Heavy Atom Count8
Formal Charge0
Complexity72.8
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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