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6-Chlorohexyl acrylate

CAT: 0127-OR1070629-01Size: 1 gDry Ice: NoHazardous: No
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CAT#:0127-OR1070629-01Size:1 g
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CAS Number
133123-02-1
MDL Number
MFCD20622357
Purity
95%
Smiles
C=CC(OCCCCCCCl)=O

Chemical Information

6-Chlorohexyl prop-2-enoate
CAS Number133123-02-1
PubChem CID15153813
IUPAC Name6-chlorohexyl prop-2-enoate
Molecular FormulaC9H15ClO2
Molecular Weight190.67
XLogP3.1
Topological Polar Surface Area26.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count8
Heavy Atom Count12
Formal Charge0
Complexity134
SMILES
C=CC(=O)OCCCCCCCl
InChI
InChI=1S/C9H15ClO2/c1-2-9(11)12-8-6-4-3-5-7-10/h2H,1,3-8H2
InChIKey
AUZPKZGIOYCYNV-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 6-Chlorohexyl prop-2-enoate
CAS: 133123-02-1
CID: 15153813
Formula: C9H15ClO2
MW: 190.67
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight190.67
XLogP33.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count8
Exact Mass190.0760574
Monoisotopic Mass190.0760574
Topological Polar Surface Area26.3 Ų
Heavy Atom Count12
Formal Charge0
Complexity134
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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