(2R)-2-Octanyl 4-Bromo-3-Oxobutanoate

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Properties Simple | Detailed

Formula C12H21BrO3
IUPAC Name [(1r)-1-methylheptyl] 4-bromo-3-oxo-butanoate
Molecular Mass 293.197 g·mol−1
Heat of Formation -692.4 ± 16.7 kJ·mol−1
Dipole Moment 4.28 ± 1.08 D
Volume 324.7 Å 3
Surface Area 312.42 Å 2
HOMO Energy -10.30 ± 0.55 eV
LUMO Energy -0.42 ± eV
Point Group Symmetry C1
InChIKey XYVHUTVZCCRZPW-SNVBAGLBSA-N
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Elements H C O Br