2-Butenoic acid, 2,3-dibromo-4-oxo-, (2Z)-


Chemical Name: 2-Butenoic acid, 2,3-dibromo-4-oxo-, (2Z)-
CAS Number: 488-11-9
Product Number: AG0035A1(AGN-PC-0OAW32)
Synonyms:
MDL No:
Molecular Formula: C4H2Br2O3
Molecular Weight: 257.8649

Identification/Properties


Properties
MP:
120-124 °C(lit.)
BP:
321.8°C at 760 mmHg
Storage:
Inert atmosphere;Room Temperature;
Form:
Solid
Refractive Index:
1.4947 (estimate)
Solubility:
methanol: 0.1 g/mL, clear
Computed Properties
Molecular Weight:
257.865g/mol
XLogP3:
1.3
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
2
Exact Mass:
257.835g/mol
Monoisotopic Mass:
255.837g/mol
Topological Polar Surface Area:
54.4A^2
Heavy Atom Count:
9
Formal Charge:
0
Complexity:
173
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


NMR Spectrum


Other Analytical Data


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