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1-(3-Chloropropoxy)-4-fluorobenzene

CAT: 0572-TRC-C367680-10GSize: 10 gDry Ice: NoHazardous: No
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CAT#:0572-TRC-C367680-10GSize:10 g
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CAS Number
1716-42-3
Synonyms
3-(4-Fluorophenoxy)propyl chloride, 1-chloro-3-(4-fluorophenoxy)-propane
Hazard Statement
No Data Available
Smiles
Fc1ccc(OCCCCl)cc1
Molecular Formula
C9H10ClFO
Molecular Weight
188.63
Shipping Conditions
Room Temperature

Chemical Information

1-(3-Chloropropoxy)-4-fluorobenzene
CAS Number1716-42-3
PubChem CID74391
IUPAC Name1-(3-chloropropoxy)-4-fluorobenzene
Molecular FormulaC9H10ClFO
Molecular Weight188.62
XLogP2.9
Topological Polar Surface Area9.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count4
Heavy Atom Count12
Formal Charge0
Complexity113
SMILES
C1=CC(=CC=C1OCCCCl)F
InChI
InChI=1S/C9H10ClFO/c10-6-1-7-12-9-4-2-8(11)3-5-9/h2-5H,1,6-7H2
InChIKey
DFFWYMMOMUTKOI-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1-(3-Chloropropoxy)-4-fluorobenzene
CAS: 1716-42-3
CID: 74391
Formula: C9H10ClFO
MW: 188.62
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight188.62
XLogP32.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count4
Exact Mass188.0404208
Monoisotopic Mass188.0404208
Topological Polar Surface Area9.2 Ų
Heavy Atom Count12
Formal Charge0
Complexity113
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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Alternative Products

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