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α-Fluoro-β-alanine-13C3

CAT: 0024-sc-496819Size: 0.5 mgDry Ice: NoHazardous: No
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CAT#:0024-sc-496819Size:0.5 mg
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CAS Number
1246819-54-4

Chemical Information

3-amino-2-fluoro(1,2,3-13C3)propanoic acid
CAS Number1246819-54-4
PubChem CID71316803
IUPAC Name3-amino-2-fluoro(1,2,3-13C3)propanoic acid
Molecular FormulaC3H6FNO2
Molecular Weight110.062
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
[13CH2]([13CH]([13C](=O)O)F)N
InChI
InChI=1S/C3H6FNO2/c4-2(1-5)3(6)7/h2H,1,5H2,(H,6,7)/i1+1,2+1,3+1
InChIKey
OJQNRNQELNLWHH-VMIGTVKRSA-N
Chemical Structure
2D Structure
2D structure of 3-amino-2-fluoro(1,2,3-13C3)propanoic acid
CAS: 1246819-54-4
CID: 71316803
Formula: C3H6FNO2
MW: 110.062
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight110.062
XLogP3-3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Exact Mass110.04832110
Monoisotopic Mass110.04832110
Topological Polar Surface Area63.3 Ų
Heavy Atom Count7
Formal Charge0
Complexity75.3
Isotope Atom Count3
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
AR-A05831-01Alfa-Fluoro-beta-Alanine-13C3
005588N-Carbamoyl-2-fluoro-β-alanine-13C3
TRC-C175872-0.25MGN-Carbamoyl-2-fluoro-Beta-alanine-13C3
HY-41700S5D-Alanine-13C3
HY-N0230S-01β-Alanine-13C3,15N
453183-01L-Alanine-13C3
A1377-85(2R) -3-Amino-2-fluoropropanoic Acid-13C3 (a-Fluoro-b-alanine-13C3)
MBS6055545-01(2R)-3-Amino-2-fluoropropanoic Acid-13C3 (a-Fluoro-b-alanine-13C3)
MBS6101774-01a-Fluoro-b-alanine-13C3 ((2R)-3-Amino-2-fluoropropanoic Acid-13C3)
F5260-11A-Fluoro-b-alanine-13C3 ((2R) -3-Amino-2-fluoropropanoic Acid-13C3) discontinued

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