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Dibromocyanoacetamide
Typical physical and chemical properties
Catalog Number ACM10222012-1
Product Name Dibromocyanoacetamide
CAS 10222-01-2
Structure
Synonyms 2,2-Dibromo-3-nitrilopropionamide
IUPAC Name 2,2-Dibromo-2-cyanoacetamide
Molecular Weight 241.87
Molecular Formula C3H2Br2N2O
SMILES C(#N)C(C(=O)N)(Br)Br
InChI InChI=1S/C3H2Br2N2O/c4-3(5,1-6)2(7)8/h(H2,7,8)
InChIKey UUIVKBHZENILKB-UHFFFAOYSA-N
Boiling Point 123-126 °C
Melting Point 124-126 °C
Purity 99%+
Density 2.3846 g/cm3
Complexity 156
Exact Mass 241.85134
Monoisotopic Mass 241.85134
Formal Charge 0
Physical State White crystalline powder
Topological Polar Surface Area 66.9 Ų
Covalently-Bonded Unit Count 1
Defined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Heavy Atom Count 8
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 1
Isotope Atom Count 0
Rotatable Bond Count 1
Undefined Atom Stereocenter Count 0
Undefined Bond Stereocenter Count 0
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