LT1

(3-chloropropyl)benzene

Created:	2009-02-17
Last modified:	2011-06-04

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1 entries where LT1 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	21
Chiral Atom Count	0
Bond Count	21
Aromatic Bond Count	6

2D diagram of LT1

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Chemical Component Summary
Name	(3-chloropropyl)benzene
Systematic Name (OpenEye OEToolkits)	3-chloropropylbenzene
Formula	C₉ H₁₁ Cl
Molecular Weight	154.637
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	ClCCCc1ccccc1
SMILES	CACTVS	3.341	ClCCCc1ccccc1
SMILES	OpenEye OEToolkits	1.5.0	c1ccc(cc1)CCCCl
Canonical SMILES	CACTVS	3.341	ClCCCc1ccccc1
Canonical SMILES	OpenEye OEToolkits	1.5.0	c1ccc(cc1)CCCCl
InChI	InChI	1.03	InChI=1S/C9H11Cl/c10-8-4-7-9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2
InChIKey	InChI	1.03	XZBXAYCCBFTQHH-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	7706
ChEMBL	CHEMBL1234093

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