2-Propenoic acid, 2-bromo-, methyl ester


Chemical Name: 2-Propenoic acid, 2-bromo-, methyl ester
CAS Number: 4519-46-4
Product Number: AG00359B(AGN-PC-0JO8GT)
Synonyms:
MDL No:
Molecular Formula: C4H5BrO2
Molecular Weight: 164.9853

Identification/Properties


Properties
BP:
139.7°C at 760 mmHg
Storage:
Inert atmosphere;-10 ℃;Light sensitive;
Form:
Liquid
Computed Properties
Molecular Weight:
164.986g/mol
XLogP3:
1.6
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
2
Exact Mass:
163.947g/mol
Monoisotopic Mass:
163.947g/mol
Topological Polar Surface Area:
26.3A^2
Heavy Atom Count:
7
Formal Charge:
0
Complexity:
97.9
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:
Danger
UN#:
1993
Hazard Statements:
H226-H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
3
Packing Group:

NMR Spectrum


Other Analytical Data


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