Structure Database (LMSD)

Common Name
2-chloro-acetic acid
Systematic Name
2-chloro-ethanoic acid
Synonyms
LM ID
LMFA01090068
Status
Active
Exact Mass
Calculate m/z
93.982158
Formula


Download as...
MDLMOL SDF CSV TSV
MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".

Main

Classification

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

References

Reference
Natural halogenated fatty acids: their analogues and derivatives
Valery M Dembitsky and Morris Srebnik
Progress in Lipid Research,41(4), 315-367 (2002)

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

Other Databases

KEGG ID
HMDB ID
CHEBI ID
PubChem CID

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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