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Beta-Fluoro-DL-alanine

CAT: 0024-sc-291974ASize: 250 mgDry Ice: NoHazardous: No
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CAT#:0024-sc-291974ASize:250 mg
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CAS Number
43163-93-5

Chemical Information

3-Fluoroalanine

antibacterial agent active against gram-positive & gram-negative bacteria; generated by C-fluorination of key component of bacterial cell wall; synthesized by photofluorination of D-alanine; RN given refers to cpd with unspecified isomeric designation; structure

CAS Number43163-93-5
PubChem CID37164
IUPAC Name2-amino-3-fluoropropanoic acid
Molecular FormulaC3H6FNO2
Molecular Weight107.08
XLogP-3
Topological Polar Surface Area63.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Heavy Atom Count7
Formal Charge0
Complexity75
SMILES
C(C(C(=O)O)N)F
InChI
InChI=1S/C3H6FNO2/c4-1-2(5)3(6)7/h2H,1,5H2,(H,6,7)
InChIKey
UYTSRQMXRROFPU-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-Fluoroalanine
CAS: 43163-93-5
CID: 37164
Formula: C3H6FNO2
MW: 107.08
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight107.08
XLogP3-3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Exact Mass107.03825660
Monoisotopic Mass107.03825660
Topological Polar Surface Area63.3 Ų
Heavy Atom Count7
Formal Charge0
Complexity75.3
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes