2-Butenoic acid, 4-bromo-, methyl ester


Chemical Name: 2-Butenoic acid, 4-bromo-, methyl ester
CAS Number: 1117-71-1
Product Number: AG003938(AGN-PC-0712SP)
Synonyms:
MDL No:
Molecular Formula: C5H7BrO2
Molecular Weight: 179.0119

Identification/Properties


Computed Properties
Molecular Weight:
179.013g/mol
XLogP3:
1.1
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
3
Exact Mass:
177.963g/mol
Monoisotopic Mass:
177.963g/mol
Topological Polar Surface Area:
26.3A^2
Heavy Atom Count:
8
Formal Charge:
0
Complexity:
98.6
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


Request for Quotation


Customer Feedback