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Ethyl 4-Chlorobutanoate

CAT: 1299-RG-A261591-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:1299-RG-A261591-01Size:10 mg
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CAS Number
3153-36-4
Synonyms
Ethyl 4-chlorobutanoate
Molecular Formula
C6H11ClO2
Molecular Weight
150.6
Product Name Synonym
Ethyl 4-chlorobutanoate

Chemical Information

Ethyl 4-chlorobutyrate
CAS Number3153-36-4
PubChem CID18474
IUPAC Nameethyl 4-chlorobutanoate
Molecular FormulaC6H11ClO2
Molecular Weight150.60
XLogP1.4
Topological Polar Surface Area26.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count5
Heavy Atom Count9
Formal Charge0
Complexity83
SMILES
CCOC(=O)CCCCl
InChI
InChI=1S/C6H11ClO2/c1-2-9-6(8)4-3-5-7/h2-5H2,1H3
InChIKey
OPXNFHAILOHHFO-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Ethyl 4-chlorobutyrate
CAS: 3153-36-4
CID: 18474
Formula: C6H11ClO2
MW: 150.60
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight150.60
XLogP31.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count5
Exact Mass150.0447573
Monoisotopic Mass150.0447573
Topological Polar Surface Area26.3 Ų
Heavy Atom Count9
Formal Charge0
Complexity83.1
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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