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RHPP+ion Chloride

CAT: 0024-sc-477159Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0024-sc-477159Size:5 mg
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CAS Number
154440-77-4

Chemical Information

4-(4-Chlorophenyl)-1-(4-(4-fluorophenyl)-4-hydroxybutyl)pyridinium
CAS Number154440-77-4
PubChem CID177961
IUPAC Name4-[4-(4-chlorophenyl)pyridin-1-ium-1-yl]-1-(4-fluorophenyl)butan-1-ol
Molecular FormulaC21H20ClFNO+
Molecular Weight356.8
XLogP4.8
Topological Polar Surface Area24.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count6
Heavy Atom Count25
Formal Charge1
Complexity372
SMILES
C1=CC(=CC=C1C2=CC=[N+](C=C2)CCCC(C3=CC=C(C=C3)F)O)Cl
InChI
InChI=1S/C21H20ClFNO/c22-19-7-3-16(4-8-19)17-11-14-24(15-12-17)13-1-2-21(25)18-5-9-20(23)10-6-18/h3-12,14-15,21,25H,1-2,13H2/q+1
InChIKey
CESYFZMRVQIRNB-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-(4-Chlorophenyl)-1-(4-(4-fluorophenyl)-4-hydroxybutyl)pyridinium
CAS: 154440-77-4
CID: 177961
Formula: C21H20ClFNO+
MW: 356.8
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight356.8
XLogP34.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count6
Exact Mass356.1217451
Monoisotopic Mass356.1217451
Topological Polar Surface Area24.1 Ų
Heavy Atom Count25
Formal Charge1
Complexity372
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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