2-Bromobutanoic Acid


Chemical Name: 2-Bromobutanoic Acid
CAS Number: 80-58-0
Product Number: AG0036LC(AGN-PC-0WA6B9)
Synonyms:
MDL No:
Molecular Formula: C4H7BrO2
Molecular Weight: 167.0012

Identification/Properties


Properties
MP:
−4 °C(lit.)
BP:
99-103 °C10 mm Hg(lit.)
Storage:
Keep in dry area;2-8℃;
Form:
Liquid
Refractive Index:
n20/D 1.474(lit.)
Solubility:
water: soluble15 part
Computed Properties
Molecular Weight:
167.002g/mol
XLogP3:
1.4
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
2
Exact Mass:
165.963g/mol
Monoisotopic Mass:
165.963g/mol
Topological Polar Surface Area:
37.3A^2
Heavy Atom Count:
7
Formal Charge:
0
Complexity:
72.1
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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