Structure Database (LMSD)
Common Name
2-bromo-nonanoic acid
Systematic Name
2-bromo-nonanoic acid
Synonyms
LM ID
LMFA01090025
Formula
C9H17O2Br
Exact Mass
Calculate m/z
236.041191
Status
Active
3D model of 2-bromo-nonanoic 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)
MELJYLJLJXTLGX-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C9H17BrO2/c1-2-3-4-5-6-7-8(10)9(11)12/h8H,2-7H2,1H3,(H,11,12)
SMILES (Click to copy)
C(C(Br)CCCCCCC)(=O)O
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
12
Rings
0
Aromatic Rings
0
Rotatable Bonds
7
Van der Waals Molecular Volume
198.48
Topological Polar Surface Area
37.30
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
2
logP
3.48
Molar Refractivity
54.24
Admin
Created at
-
Updated at
14th Dec 2023