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5-Chloropentanal

CAT: 0926-VAA07480-01Size: 10 gDry Ice: NoHazardous: No
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CAT#:0926-VAA07480-01Size:10 g
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CAS Number
20074-80-0
MDL Number
MFCD09753736
Controlled
No

Chemical Information

5-Chloropentanal
CAS Number20074-80-0
PubChem CID643048
IUPAC Name5-chloropentanal
Molecular FormulaC5H9ClO
Molecular Weight120.58
XLogP1
Topological Polar Surface Area17.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count4
Heavy Atom Count7
Formal Charge0
Complexity45
SMILES
C(CCCl)CC=O
InChI
InChI=1S/C5H9ClO/c6-4-2-1-3-5-7/h5H,1-4H2
InChIKey
ZNLHWEDEIKEQDK-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 5-Chloropentanal
CAS: 20074-80-0
CID: 643048
Formula: C5H9ClO
MW: 120.58
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight120.58
XLogP31
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count4
Exact Mass120.0341926
Monoisotopic Mass120.0341926
Topological Polar Surface Area17.1 Ų
Heavy Atom Count7
Formal Charge0
Complexity45.3
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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