Structure Database (LMSD)

Common Name
12-bromo-octadecanoic acid
Systematic Name
12-bromo-octadecanoic acid
Synonyms
LM ID
LMFA01090013
Status
Active
Exact Mass
Calculate m/z
362.182041
Formula


Download as...
MDLMOL SDF CSV TSV
MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".

Main

Classification

String Representations

InChiKey (Click to copy)
OOXDKNSCVLIEIN-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C18H35BrO2/c1-2-3-4-11-14-17(19)15-12-9-7-5-6-8-10-13-16-18(20)21/h17H,2-16H2,1H3,(H,20,21)
SMILES (Click to copy)
C(CCCCCCCCCCC(Br)CCCCCC)(=O)O

References

Other Databases

LIPIDAT ID
2417
PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 21
Rings 0
Aromatic Rings 0
Rotatable Bonds 16
Van der Waals Molecular Volume 354.18
Topological Polar Surface Area 37.30
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
logP 6.99
Molar Refractivity 95.79

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Created at
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Updated at
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