P5Z

6-chloro-4-(2-chlorophenoxy)-2-methylquinoline-3-carboxylic acid

Created:	2023-05-05
Last modified:	2023-06-14

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1 entries where P5Z is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	34
Chiral Atom Count	0
Bond Count	36
Aromatic Bond Count	17

2D diagram of P5Z

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Chemical Component Summary
Name	6-chloro-4-(2-chlorophenoxy)-2-methylquinoline-3-carboxylic acid
Systematic Name (OpenEye OEToolkits)	6-chloranyl-4-(2-chloranylphenoxy)-2-methyl-quinoline-3-carboxylic acid
Formula	C₁₇ H₁₁ Cl₂ N O₃
Molecular Weight	348.18
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	Clc1ccccc1Oc1c2cc(Cl)ccc2nc(C)c1C(=O)O
SMILES	CACTVS	3.385	Cc1nc2ccc(Cl)cc2c(Oc3ccccc3Cl)c1C(O)=O
SMILES	OpenEye OEToolkits	2.0.7	Cc1c(c(c2cc(ccc2n1)Cl)Oc3ccccc3Cl)C(=O)O
Canonical SMILES	CACTVS	3.385	Cc1nc2ccc(Cl)cc2c(Oc3ccccc3Cl)c1C(O)=O
Canonical SMILES	OpenEye OEToolkits	2.0.7	Cc1c(c(c2cc(ccc2n1)Cl)Oc3ccccc3Cl)C(=O)O
InChI	InChI	1.06	InChI=1S/C17H11Cl2NO3/c1-9-15(17(21)22)16(23-14-5-3-2-4-12(14)19)11-8-10(18)6-7-13(11)20-9/h2-8H,1H3,(H,21,22)
InChIKey	InChI	1.06	ABPWAZGWFVYLDD-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	168300851

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