Structure Database (LMSD)

Common Name
2-chloro-acetic acid
Systematic Name
2-chloro-ethanoic acid
Synonyms
LM ID
LMFA01090068
Formula
C2H3ClO2
Exact Mass
Calculate m/z
93.982158
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Fatty Acids and Conjugates [FA01]
Halogenated fatty acids [FA0109]

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Asparagopsis taxiformis (#260499)
Florideophyceae (#2806)
Natural halogenated fatty acids: their analogues and derivatives.,
Prog Lipid Res, 2002
Pubmed ID: 11958814

String Representations

InChiKey (Click to copy)
FOCAUTSVDIKZOP-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C2H3ClO2/c3-1-2(4)5/h1H2,(H,4,5)
SMILES (Click to copy)
C(CCl)(=O)O

Other Databases

KEGG ID
C06755
HMDB ID
HMDB0031331
CHEBI ID
27869
PubChem CID
300
PDB ID
R3W

Calculated Physicochemical Properties

Heavy Atoms 5
Rings 0
Aromatic Rings 0
Rotatable Bonds 1
Van der Waals Molecular Volume 73.31
Topological Polar Surface Area 37.30
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
logP 0.59
Molar Refractivity 18.85

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Updated at
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