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2,2-Dibromomalonamide-13C3

CAT: 0804-HY-W777836-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-W777836-01Size:1 mg
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Description
2,2-Dibromomalonamide-13C3 (Dibromo Malonamide-13C3) is the 13C-labeled 2,2-Dibromomalonamide. 2,2-Dibromomalonamide is a biochemical agent[1].
CAS Number
1246815-05-3
Product Name Alternative
Dibromo Malonamide-13C3
UNSPSC
12352211
Target
Biochemical Assay Reagents; Isotope-Labeled Compounds
Related Pathways
Others
Field of Research
Cancer
Smiles
O=[13C](N)[13C](Br)(Br)[13C](N)=O
Molecular Formula
13C3H4Br2N2O2
Molecular Weight
262.86
References & Citations
[1]Methods of biochemical analysis[M]. John Wiley & Sons, 2009.
Shipping Conditions
Room temperature
Scientific Category
Isotope-Labeled Compounds
Clinical Information
No Development Reported

Chemical Information

Dibromo Malonamide-13C3
CAS Number1246815-05-3
PubChem CID71315941
IUPAC Name2,2-dibromo(1,2,3-13C3)propanediamide
Molecular FormulaC3H4Br2N2O2
Molecular Weight262.86
XLogP-0.2
Topological Polar Surface Area86.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Heavy Atom Count9
Formal Charge0
Complexity140
SMILES
[13C](=O)([13C]([13C](=O)N)(Br)Br)N
InChI
InChI=1S/C3H4Br2N2O2/c4-3(5,1(6)8)2(7)9/h(H2,6,8)(H2,7,9)/i1+1,2+1,3+1
InChIKey
SWHQVMGRXIYDSF-VMIGTVKRSA-N
Chemical Structure
2D Structure
2D structure of Dibromo Malonamide-13C3
CAS: 1246815-05-3
CID: 71315941
Formula: C3H4Br2N2O2
MW: 262.86
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight262.86
XLogP3-0.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass262.87197
Monoisotopic Mass260.87402
Topological Polar Surface Area86.2 Ų
Heavy Atom Count9
Formal Charge0
Complexity140
Isotope Atom Count3
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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