7CL

1-chloropentane

Created:	2009-02-16
Last modified:	2011-06-04

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1 entries where 7CL is found as a standalone ligand

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

2D diagram of 7CL

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Chemical Component Summary
Name	1-chloropentane
Systematic Name (OpenEye OEToolkits)	1-chloropentane
Formula	C₅ H₁₁ Cl
Molecular Weight	106.594
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	ClCCCCC
SMILES	CACTVS	3.341	CCCCCCl
SMILES	OpenEye OEToolkits	1.5.0	CCCCCCl
Canonical SMILES	CACTVS	3.341	CCCCCCl
Canonical SMILES	OpenEye OEToolkits	1.5.0	CCCCCCl
InChI	InChI	1.03	InChI=1S/C5H11Cl/c1-2-3-4-5-6/h2-5H2,1H3
InChIKey	InChI	1.03	SQCZQTSHSZLZIQ-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	10977
ChEMBL	CHEMBL348039
CCDC/CSD	BEVLIZ, HAJWUO

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.