CEE

(2-chloroethyl)benzene

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

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1 entries where CEE is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	18
Chiral Atom Count	0
Bond Count	18
Aromatic Bond Count	6

2D diagram of CEE

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Chemical Component Summary
Name	(2-chloroethyl)benzene
Systematic Name (OpenEye OEToolkits)	2-chloroethylbenzene
Formula	C₈ H₉ Cl
Molecular Weight	140.61
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	ClCCc1ccccc1
SMILES	CACTVS	3.341	ClCCc1ccccc1
SMILES	OpenEye OEToolkits	1.5.0	c1ccc(cc1)CCCl
Canonical SMILES	CACTVS	3.341	ClCCc1ccccc1
Canonical SMILES	OpenEye OEToolkits	1.5.0	c1ccc(cc1)CCCl
InChI	InChI	1.03	InChI=1S/C8H9Cl/c9-7-6-8-4-2-1-3-5-8/h1-5H,6-7H2
InChIKey	InChI	1.03	MNNZINNZIQVULG-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	231496

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.