Octanoic acid, 2-bromo-, ethyl ester


Chemical Name: Octanoic acid, 2-bromo-, ethyl ester
CAS Number: 5445-29-4
Product Number: AG0034UB(AGN-PC-0JM1D0)
Synonyms:
MDL No:
Molecular Formula: C10H19BrO2
Molecular Weight: 251.1607

Identification/Properties


Properties
BP:
243.1°C at 760 mmHg
Storage:
Inert atmosphere;2-8℃;
Form:
Liquid
Refractive Index:
n20/D 1.452(lit.)
Computed Properties
Molecular Weight:
251.164g/mol
XLogP3:
4.2
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
8
Exact Mass:
250.057g/mol
Monoisotopic Mass:
250.057g/mol
Topological Polar Surface Area:
26.3A^2
Heavy Atom Count:
13
Formal Charge:
0
Complexity:
137
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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