2-Propenoic acid, bromo-, ethyl ester


Chemical Name: 2-Propenoic acid, bromo-, ethyl ester
CAS Number: 5459-35-8
Product Number: AG00D9L2(AGN-PC-0JO8GU)
Synonyms:
MDL No:
Molecular Formula: C5H7BrO2
Molecular Weight: 179.01188

Identification/Properties


Properties
BP:
63.5-65 °C(Press: 15 Torr)
Storage:
Inert atmosphere;-10 ℃;
Computed Properties
Molecular Weight:
179.013g/mol
XLogP3:
2.5
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:
109
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
Signal Word:
Warning
UN#:
N/A
Hazard Statements:
H302
Precautionary Statements:
P264-P270-P301+P312-P330
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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