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3- (2,4-Difluorophenyl) propionic acid

CAT: 0024-sc-225855Size: 1 gDry Ice: NoHazardous: No
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CAT#:0024-sc-225855Size:1 g
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CAS Number
134672-70-1

Chemical Information

3-(2,4-difluorophenyl)propanoic Acid
CAS Number134672-70-1
PubChem CID4986395
IUPAC Name3-(2,4-difluorophenyl)propanoic acid
Molecular FormulaC9H8F2O2
Molecular Weight186.15
XLogP1.9
Topological Polar Surface Area37.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Heavy Atom Count13
Formal Charge0
Complexity184
SMILES
C1=CC(=C(C=C1F)F)CCC(=O)O
InChI
InChI=1S/C9H8F2O2/c10-7-3-1-6(8(11)5-7)2-4-9(12)13/h1,3,5H,2,4H2,(H,12,13)
InChIKey
XAPRKUUFZCSOTE-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-(2,4-difluorophenyl)propanoic Acid
CAS: 134672-70-1
CID: 4986395
Formula: C9H8F2O2
MW: 186.15
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight186.15
XLogP31.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Exact Mass186.04923582
Monoisotopic Mass186.04923582
Topological Polar Surface Area37.3 Ų
Heavy Atom Count13
Formal Charge0
Complexity184
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