Propanoic acid, 2-bromo-, methyl ester


Chemical Name: Propanoic acid, 2-bromo-, methyl ester
CAS Number: 5445-17-0
Product Number: AG00355Z(AGN-PC-0JM1CX)
Synonyms:
MDL No:
Molecular Formula: C4H7BrO2
Molecular Weight: 167.0012

Identification/Properties


Properties
BP:
145.9°C at 760 mmHg
Storage:
Inert atmosphere;2-8℃;
Form:
Liquid
Refractive Index:
n20/D 1.451(lit.)
Solubility:
water: insoluble
Computed Properties
Molecular Weight:
167.002g/mol
XLogP3:
1.3
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
2
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:
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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