R3W

chloroacetic acid

Created:	2011-03-22
Last modified:	2024-09-27

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3 entries where R3W is found as a standalone ligand1 entries where R3W is found in a polymer sequence

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Chemical Details
Formal Charge	0
Atom Count	8
Chiral Atom Count	0
Bond Count	7
Aromatic Bond Count	0

2D diagram of R3W

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Chemical Component Summary
Name	chloroacetic acid
Systematic Name (OpenEye OEToolkits)	2-chloroethanoic acid
Formula	C₂ H₃ Cl O₂
Molecular Weight	94.497
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	ClCC(=O)O
SMILES	CACTVS	3.370	OC(=O)CCl
SMILES	OpenEye OEToolkits	1.7.0	C(C(=O)O)Cl
Canonical SMILES	CACTVS	3.370	OC(=O)CCl
Canonical SMILES	OpenEye OEToolkits	1.7.0	C(C(=O)O)Cl
InChI	InChI	1.03	InChI=1S/C2H3ClO2/c3-1-2(4)5/h1H2,(H,4,5)
InChIKey	InChI	1.03	FOCAUTSVDIKZOP-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	300
ChEMBL	CHEMBL14090
ChEBI	CHEBI:27869
CCDC/CSD	TETXUL, CLACET03, CLACET04, CLACET05, TETXUL01, CLACET06, CLACET07, LUNNAJ, CLACET01, NEBXUP, SAYNEM, CLACET02, HILJAP, USUQAD, LUNNAJ01, LUNNAJ10, PAQPIK

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM157729.