Structure Database (LMSD)
Common Name
2-bromo-decanoic acid
Systematic Name
2-bromo-decanoic acid
Synonyms
LM ID
LMFA01090003
Formula
C10H19O2Br
Exact Mass
Calculate m/z
250.056841
Status
Curated
3D model of 2-bromo-decanoic 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)
KNLOTZNPRIFUAR-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C10H19BrO2/c1-2-3-4-5-6-7-8-9(11)10(12)13/h9H,2-8H2,1H3,(H,12,13)
SMILES (Click to copy)
C(C(Br)CCCCCCCC)(=O)O
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
13
Rings
0
Aromatic Rings
0
Rotatable Bonds
8
Van der Waals Molecular Volume
215.78
Topological Polar Surface Area
37.30
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
2
logP
3.87
Molar Refractivity
58.86
Admin
Created at
-
Updated at
14th Dec 2023