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3-Fluorobenzoic acid

CAT: 0024-sc-231712Size: 5 gDry Ice: NoHazardous: No
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CAT#:0024-sc-231712Size:5 g
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CAS Number
455-38-9

Chemical Information

3-Fluorobenzoic Acid

3-fluorobenzoic acid is a fluorobenzoic acid that is benzoic acid substituted by a fluoro group at position 3. It is a conjugate acid of a 3-fluorobenzoate.

CAS Number455-38-9
PubChem CID9968
IUPAC Name3-fluorobenzoic acid
Molecular FormulaC7H5FO2
Molecular Weight140.11
XLogP2.2
Topological Polar Surface Area37.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Heavy Atom Count10
Formal Charge0
Complexity136
SMILES
C1=CC(=CC(=C1)F)C(=O)O
InChI
InChI=1S/C7H5FO2/c8-6-3-1-2-5(4-6)7(9)10/h1-4H,(H,9,10)
InChIKey
MXNBDFWNYRNIBH-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-Fluorobenzoic Acid
CAS: 455-38-9
CID: 9968
Formula: C7H5FO2
MW: 140.11
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight140.11
XLogP32.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Exact Mass140.02735756
Monoisotopic Mass140.02735756
Topological Polar Surface Area37.3 Ų
Heavy Atom Count10
Formal Charge0
Complexity136
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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