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4-Chloro-8-propoxyquinoline

CAT: 0926-GWB60206-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0926-GWB60206-01Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1156602-06-0
MDL Number
MFCD12192754
Smiles
CCCOC1=CC=CC2=C (C=CN=C21) Cl
Molecular Formula
C12H12ClNO
Molecular Weight
221.68 g/mol
Controlled
No

Chemical Information

4-Chloro-8-propoxyquinoline
CAS Number1156602-06-0
PubChem CID43531944
IUPAC Name4-chloro-8-propoxyquinoline
Molecular FormulaC12H12ClNO
Molecular Weight221.68
XLogP3.9
Topological Polar Surface Area22.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Heavy Atom Count15
Formal Charge0
Complexity200
SMILES
CCCOC1=CC=CC2=C(C=CN=C21)Cl
InChI
InChI=1S/C12H12ClNO/c1-2-8-15-11-5-3-4-9-10(13)6-7-14-12(9)11/h3-7H,2,8H2,1H3
InChIKey
PPYMIVOMBONZGI-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-Chloro-8-propoxyquinoline
CAS: 1156602-06-0
CID: 43531944
Formula: C12H12ClNO
MW: 221.68
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight221.68
XLogP33.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Exact Mass221.0607417
Monoisotopic Mass221.0607417
Topological Polar Surface Area22.1 Ų
Heavy Atom Count15
Formal Charge0
Complexity200
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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