2-Butenoic acid, 4-bromo-, (2E)-


Chemical Name: 2-Butenoic acid, 4-bromo-, (2E)-
CAS Number: 13991-36-1
Product Number: AG001BSY(AGN-PC-0O1XP9)
Synonyms:
MDL No:
Molecular Formula: C4H5BrO2
Molecular Weight: 164.9853

Identification/Properties


Properties
MP:
74 °C
BP:
287.6°C at 760 mmHg
Storage:
Inert atmosphere;2-8℃;
Form:
Solid
Computed Properties
Molecular Weight:
164.986g/mol
XLogP3:
0.8
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
2
Exact Mass:
163.947g/mol
Monoisotopic Mass:
163.947g/mol
Topological Polar Surface Area:
37.3A^2
Heavy Atom Count:
7
Formal Charge:
0
Complexity:
87.7
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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