Octanoic acid, 8-bromo-, 1,1-dimethylethyl ester


Chemical Name: Octanoic acid, 8-bromo-, 1,1-dimethylethyl ester
CAS Number: 77383-17-6
Product Number: AG01FFFH(AGN-PC-0N7YAL)
Synonyms:
MDL No:
Molecular Formula: C12H23BrO2
Molecular Weight: 279.2138

Identification/Properties


Computed Properties
Molecular Weight:
279.218g/mol
XLogP3:
3.9
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
9
Exact Mass:
278.088g/mol
Monoisotopic Mass:
278.088g/mol
Topological Polar Surface Area:
26.3A^2
Heavy Atom Count:
15
Formal Charge:
0
Complexity:
173
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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