Butanoic acid, 2-bromo-, methyl ester


Chemical Name: Butanoic acid, 2-bromo-, methyl ester
CAS Number: 3196-15-4
Product Number: AG00I61Z(AGN-PC-0JM1CY)
Synonyms:
MDL No:
Molecular Formula: C5H9BrO2
Molecular Weight: 181.02776

Identification/Properties


Properties
BP:
171°C at 760 mmHg
Storage:
Inert atmosphere;Room Temperature;
Form:
Liquid
Computed Properties
Molecular Weight:
181.029g/mol
XLogP3:
1.8
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
3
Exact Mass:
179.979g/mol
Monoisotopic Mass:
179.979g/mol
Topological Polar Surface Area:
26.3A^2
Heavy Atom Count:
8
Formal Charge:
0
Complexity:
82.5
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
1
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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