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5-Chloropentyl Acetate

CAT: 0572-TRC-C374848-10GSize: 10 gDry Ice: NoHazardous: No
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CAT#:0572-TRC-C374848-10GSize:10 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
20395-28-2
Hazard Statement
No Data Available
Smiles
CC(=O)OCCCCCCl
Molecular Formula
C7 H13 Cl O2
Molecular Weight
164.63
InChI
InChI=1S/C7H13ClO2/c1-7(9)10-6-4-2-3-5-8/h2-6H2,1H3
Additionnal Information
IUPAC name: 5-chloropentyl acetate
Shipping Conditions
Room Temperature

Chemical Information

1-Pentanol, 5-chloro-, 1-acetate
CAS Number20395-28-2
PubChem CID88521
IUPAC Name5-chloropentyl acetate
Molecular FormulaC7H13ClO2
Molecular Weight164.63
XLogP2.2
Topological Polar Surface Area26.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count6
Heavy Atom Count10
Formal Charge0
Complexity93
SMILES
CC(=O)OCCCCCCl
InChI
InChI=1S/C7H13ClO2/c1-7(9)10-6-4-2-3-5-8/h2-6H2,1H3
InChIKey
ZCYVIAZIVJNAMO-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1-Pentanol, 5-chloro-, 1-acetate
CAS: 20395-28-2
CID: 88521
Formula: C7H13ClO2
MW: 164.63
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight164.63
XLogP32.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count6
Exact Mass164.0604073
Monoisotopic Mass164.0604073
Topological Polar Surface Area26.3 Ų
Heavy Atom Count10
Formal Charge0
Complexity93.6
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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