Structure Database (LMSD)
Common Name
12-bromo-dodecanoic acid
Systematic Name
12-bromo-dodecanoic acid
Synonyms
LM ID
LMFA01090007
Formula
C12H23O2Br
Exact Mass
Calculate m/z
278.088141
Status
Active
No other lipid differing only in stereochemistry/bond geometry found
3D model of 12-bromo-dodecanoic acid
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Classification
Category
Main Class
Sub Class
References
Taxonomy Information
Curated from
NCBI taxonomy class
Reference
synthetic construct
(#32630)
Imported from LIPIDAT database. Likely synthetic
String Representations
InChiKey (Click to copy)
YYKBWYBUCFHYPR-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C12H23BrO2/c13-11-9-7-5-3-1-2-4-6-8-10-12(14)15/h1-11H2,(H,14,15)
SMILES (Click to copy)
C(CCCCCCCCCCCBr)(=O)O
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
15
Rings
0
Aromatic Rings
0
Rotatable Bonds
11
Van der Waals Molecular Volume
250.38
Topological Polar Surface Area
37.30
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
2
logP
4.65
Molar Refractivity
68.09
Admin
Created at
-
Updated at
14th Dec 2023