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4- (2-fluoroethoxy) benzoic acid

CAT: 0127-PC1011343Size: 1 EachDry Ice: NoHazardous: No
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CAS Number
145304-35-4
Purity
95%
Smiles
C1c (ccc (c1) OCCF) C (=O) O

Chemical Information

4-(2-Fluoroethoxy)benzoic acid
CAS Number145304-35-4
PubChem CID51357093
IUPAC Name4-(2-fluoroethoxy)benzoic acid
Molecular FormulaC9H9FO3
Molecular Weight184.16
XLogP2.4
Topological Polar Surface Area46.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Heavy Atom Count13
Formal Charge0
Complexity164
SMILES
C1=CC(=CC=C1C(=O)O)OCCF
InChI
InChI=1S/C9H9FO3/c10-5-6-13-8-3-1-7(2-4-8)9(11)12/h1-4H,5-6H2,(H,11,12)
InChIKey
XBOPWMBIOUQWMI-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-(2-Fluoroethoxy)benzoic acid
CAS: 145304-35-4
CID: 51357093
Formula: C9H9FO3
MW: 184.16
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight184.16
XLogP32.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Exact Mass184.05357231
Monoisotopic Mass184.05357231
Topological Polar Surface Area46.5 Ų
Heavy Atom Count13
Formal Charge0
Complexity164
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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CLC91076-012- (2-Fluoroethoxy) benzoic acid
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