Ethanol, 2-bromo-, acetate


Chemical Name: Ethanol, 2-bromo-, acetate
CAS Number: 927-68-4
Product Number: AG00336E(AGN-PC-0ONDL6)
Synonyms:
MDL No:
Molecular Formula: C4H7BrO2
Molecular Weight: 167.0012

Identification/Properties


Properties
MP:
−14-−13.8 °C(lit.)
BP:
159 °C(lit.)
Storage:
Inert atmosphere;Room Temperature;
Form:
Liquid
Refractive Index:
n20/D 1.455(lit.)
Computed Properties
Molecular Weight:
167.002g/mol
XLogP3:
0.9
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
3
Exact Mass:
165.963g/mol
Monoisotopic Mass:
165.963g/mol
Topological Polar Surface Area:
26.3A^2
Heavy Atom Count:
7
Formal Charge:
0
Complexity:
62.7
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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