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2-bromo-2-cyanoacetamide

CAT: 0024-sc-341492Size: 250 mgDry Ice: NoHazardous: No
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CAT#:0024-sc-341492Size:250 mg
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CAS Number
1113-55-9

Chemical Information

2-Bromo-2-cyanoacetamide
CAS Number1113-55-9
PubChem CID263631
IUPAC Name2-bromo-2-cyanoacetamide
Molecular FormulaC3H3BrN2O
Molecular Weight162.97
XLogP-0.1
Topological Polar Surface Area66.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Heavy Atom Count7
Formal Charge0
Complexity124
SMILES
C(#N)C(C(=O)N)Br
InChI
InChI=1S/C3H3BrN2O/c4-2(1-5)3(6)7/h2H,(H2,6,7)
InChIKey
ABBGMXMPOCXVNL-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Bromo-2-cyanoacetamide
CAS: 1113-55-9
CID: 263631
Formula: C3H3BrN2O
MW: 162.97
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight162.97
XLogP3-0.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass161.94288
Monoisotopic Mass161.94288
Topological Polar Surface Area66.9 Ų
Heavy Atom Count7
Formal Charge0
Complexity124
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

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