Structure Database (LMSD)
Common Name
bromosuccinic acid
Systematic Name
2-bromobutanedioic acid;2-bromosuccinic acid
Synonyms
- (+-)-bromosuccinic acid
- DL-bromosuccinic acid
- Monobromosuccinic acid
- RS-bromosuccinic acid
LM ID
LMFA01090155
Formula
C4H5O4Br
Exact Mass
Calculate m/z
195.937121
Status
Active
No other lipid differing only in stereochemistry/bond geometry found
3D model of bromosuccinic 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
String Representations
InChiKey (Click to copy)
QQWGVQWAEANRTK-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C4H5BrO4/c5-2(4(8)9)1-3(6)7/h2H,1H2,(H,6,7)(H,8,9)
SMILES (Click to copy)
BrC(C(=O)O)CC(=O)O
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
9
Rings
0
Aromatic Rings
0
Rotatable Bonds
3
Van der Waals Molecular Volume
126.92
Topological Polar Surface Area
74.60
Hydrogen Bond Donors
2
Hydrogen Bond Acceptors
4
logP
0.60
Molar Refractivity
33.12
Admin
Created at
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Updated at
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