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1-Chloro-3-Methoxypropane

CAT: 1299-RG-A261451-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:1299-RG-A261451-01Size:10 mg
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CAS Number
36215-07-3
Synonyms
1-chloro-3-methoxypropane
Molecular Formula
C4H9ClO
Molecular Weight
108.57
Product Name Synonym
1-chloro-3-methoxypropane

Chemical Information

1-Chloro-3-methoxypropane
CAS Number36215-07-3
PubChem CID118927
IUPAC Name1-chloro-3-methoxypropane
Molecular FormulaC4H9ClO
Molecular Weight108.57
XLogP1
Topological Polar Surface Area9.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count3
Heavy Atom Count6
Formal Charge0
Complexity23
SMILES
COCCCCl
InChI
InChI=1S/C4H9ClO/c1-6-4-2-3-5/h2-4H2,1H3
InChIKey
BQLHMMQUVJCTAN-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1-Chloro-3-methoxypropane
CAS: 36215-07-3
CID: 118927
Formula: C4H9ClO
MW: 108.57
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight108.57
XLogP31
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count3
Exact Mass108.0341926
Monoisotopic Mass108.0341926
Topological Polar Surface Area9.2 Ų
Heavy Atom Count6
Formal Charge0
Complexity23.5
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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