2-Propynoic acid, 3-bromo-, methyl ester


Chemical Name: 2-Propynoic acid, 3-bromo-, methyl ester
CAS Number: 23680-40-2
Product Number: AG002O5H(AGN-PC-0JPE0A)
Synonyms:
MDL No:
Molecular Formula: C4H3BrO2
Molecular Weight: 162.9694

Identification/Properties


Computed Properties
Molecular Weight:
162.97g/mol
XLogP3:
1.6
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
1
Exact Mass:
161.932g/mol
Monoisotopic Mass:
161.932g/mol
Topological Polar Surface Area:
26.3A^2
Heavy Atom Count:
7
Formal Charge:
0
Complexity:
127
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


NMR Spectrum


Other Analytical Data


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