2HQ

5-chloro-1H-indole-2,3-dione

Created:	2013-10-22
Last modified:	2013-11-06

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3 entries where 2HQ is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	16
Chiral Atom Count	0
Bond Count	17
Aromatic Bond Count	6

2D diagram of 2HQ

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Chemical Component Summary
Name	5-chloro-1H-indole-2,3-dione
Systematic Name (OpenEye OEToolkits)	5-chloranyl-1H-indole-2,3-dione
Formula	C₈ H₄ Cl N O₂
Molecular Weight	181.576
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	Clc1cc2c(cc1)NC(=O)C2=O
SMILES	CACTVS	3.370	Clc1ccc2NC(=O)C(=O)c2c1
SMILES	OpenEye OEToolkits	1.7.6	c1cc2c(cc1Cl)C(=O)C(=O)N2
Canonical SMILES	CACTVS	3.370	Clc1ccc2NC(=O)C(=O)c2c1
Canonical SMILES	OpenEye OEToolkits	1.7.6	c1cc2c(cc1Cl)C(=O)C(=O)N2
InChI	InChI	1.03	InChI=1S/C8H4ClNO2/c9-4-1-2-6-5(3-4)7(11)8(12)10-6/h1-3H,(H,10,11,12)
InChIKey	InChI	1.03	XHDJYQWGFIBCEP-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	87203
ChEMBL	CHEMBL327012
CCDC/CSD	CEDSUB
COD	2227572

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.