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4- (4-Fluorophenoxy) Butanoic Acid

CAT: 0926-FF80324-01Size: 250 mgDry Ice: NoHazardous: No
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CAT#:0926-FF80324-01Size:250 mg
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CAS Number
1549-77-5
MDL Number
MFCD08446938
Smiles
C1=CC (=CC=C1OCCCC (=O) O) F
Molecular Formula
C10H11FO3
Molecular Weight
198.19 g/mol
Controlled
Yes

Chemical Information

4-(4-Fluorophenoxy)butanoic acid
CAS Number1549-77-5
PubChem CID12243560
IUPAC Name4-(4-fluorophenoxy)butanoic acid
Molecular FormulaC10H11FO3
Molecular Weight198.19
XLogP1.8
Topological Polar Surface Area46.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Heavy Atom Count14
Formal Charge0
Complexity176
SMILES
C1=CC(=CC=C1OCCCC(=O)O)F
InChI
InChI=1S/C10H11FO3/c11-8-3-5-9(6-4-8)14-7-1-2-10(12)13/h3-6H,1-2,7H2,(H,12,13)
InChIKey
NOAUECWRUPGSOJ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-(4-Fluorophenoxy)butanoic acid
CAS: 1549-77-5
CID: 12243560
Formula: C10H11FO3
MW: 198.19
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight198.19
XLogP31.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Exact Mass198.06922237
Monoisotopic Mass198.06922237
Topological Polar Surface Area46.5 Ų
Heavy Atom Count14
Formal Charge0
Complexity176
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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