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(R) -2- (4-Fluorophenyl) -2-hydroxyacetic acid

CAT: 0127-PC103377-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0127-PC103377-01Size:100 mg
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CAS Number
32222-45-0
MDL Number
MFCD20638902
Purity
98%
Smiles
O[C@H](C1=CC=C(F)C=C1)C(O)=O

Chemical Information

(2R)-2-(4-fluorophenyl)-2-hydroxyacetic acid
CAS Number32222-45-0
PubChem CID6994465
IUPAC Name(2R)-2-(4-fluorophenyl)-2-hydroxyacetic acid
Molecular FormulaC8H7FO3
Molecular Weight170.14
XLogP0.7
Topological Polar Surface Area57.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Heavy Atom Count12
Formal Charge0
Complexity164
SMILES
C1=CC(=CC=C1[C@H](C(=O)O)O)F
InChI
InChI=1S/C8H7FO3/c9-6-3-1-5(2-4-6)7(10)8(11)12/h1-4,7,10H,(H,11,12)/t7-/m1/s1
InChIKey
RWCMOQXHIDWDDJ-SSDOTTSWSA-N
Chemical Structure
2D Structure
2D structure of (2R)-2-(4-fluorophenyl)-2-hydroxyacetic acid
CAS: 32222-45-0
CID: 6994465
Formula: C8H7FO3
MW: 170.14
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight170.14
XLogP30.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Exact Mass170.03792224
Monoisotopic Mass170.03792224
Topological Polar Surface Area57.5 Ų
Heavy Atom Count12
Formal Charge0
Complexity164
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes