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Florfenicol Oxamic Acid

CAT: 1596-AR-F09352-01Size: 10 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-F09352-01Size:10 Units
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
138872-88-5
Molecular Formula
C12H14FNO6S
Molecular Weight
319.30
API Name
Florfenicol

Chemical Information

2-[[(1R,2S)-3-fluoro-1-hydroxy-1-(4-methylsulfonylphenyl)propan-2-yl]amino]-2-oxoacetic acid
CAS Number138872-88-5
PubChem CID67736241
IUPAC Name2-[[(1R,2S)-3-fluoro-1-hydroxy-1-(4-methylsulfonylphenyl)propan-2-yl]amino]-2-oxoacetic acid
Molecular FormulaC12H14FNO6S
Molecular Weight319.31
XLogP-0.6
Topological Polar Surface Area129
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count6
Heavy Atom Count21
Formal Charge0
Complexity480
SMILES
CS(=O)(=O)C1=CC=C(C=C1)[C@H]([C@@H](CF)NC(=O)C(=O)O)O
InChI
InChI=1S/C12H14FNO6S/c1-21(19,20)8-4-2-7(3-5-8)10(15)9(6-13)14-11(16)12(17)18/h2-5,9-10,15H,6H2,1H3,(H,14,16)(H,17,18)/t9-,10-/m1/s1
InChIKey
KMRWVECCYOWUQG-NXEZZACHSA-N
Chemical Structure
2D Structure
2D structure of 2-[[(1R,2S)-3-fluoro-1-hydroxy-1-(4-methylsulfonylphenyl)propan-2-yl]amino]-2-oxoacetic acid
CAS: 138872-88-5
CID: 67736241
Formula: C12H14FNO6S
MW: 319.31
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight319.31
XLogP3-0.6
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count6
Exact Mass319.05258650
Monoisotopic Mass319.05258650
Topological Polar Surface Area129 Ų
Heavy Atom Count21
Formal Charge0
Complexity480
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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OR1014564-01Oxamic Acid Sodium Salt
sc-489021Oxamic Acid Potassium Salt
T212583-01N- (Pyridyl) oxamic Acid
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