chempirical

2,2-Dibromomalonamide

C3H4Br2N2O2CAS 73003-80-2259.88 g/mol

Open in Covalent MOL file
NH2OBrBrNH2O
Alkyl halide

Properties

Molecular formula
C3H4Br2N2O2
Molar mass
259.88 g/mol
Exact mass
257.8640 Da
Melting point
203 °C
logP
1.54Crippen estimate
Polar surface area
88.2 Ų
H-bond donors / acceptors
4 / 2
Rotatable bonds
2

Identifiers

CAS number
73003-80-2
SMILES
N=C(O)C(Br)(Br)C(=N)O
InChIKey
SWHQVMGRXIYDSF-UHFFFAOYSA-N
InChI
InChI=1S/C3H4Br2N2O2/c4-3(5,1(6)8)2(7)9/h(H2,6,8)(H2,7,9)

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

4 names
  • Propanediamide, 2,2-dibromo-
  • Malonamide, 2,2-dibromo-
  • 2,2-Dibromopropanediamide
  • Dibromomalonic acid diamide

Work with 2,2-Dibromomalonamide

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Dbnpa10222-01-244 % similar Trifluoroacetamide354-38-143 % similar 2,2,3,3-Tetrafluorobutanediamide377-37-743 % similar Trichloroacetamide594-65-043 % similar Pivalamide754-10-943 % similar 2-Hydroxy-2-methylpropanamide13027-88-839 % similar Chlorodifluoroacetamide354-28-938 % similar 2,2,3,3,3-Pentafluoropropanamide354-76-738 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook