5E2

2-(3-bromophenyl)-6-chloroquinoline-4-carboxylic acid

Created:	2015-09-15
Last modified:	2016-07-20

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1 entries where 5E2 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	30
Chiral Atom Count	0
Bond Count	32
Aromatic Bond Count	17

2D diagram of 5E2

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Chemical Component Summary
Name	2-(3-bromophenyl)-6-chloroquinoline-4-carboxylic acid
Systematic Name (OpenEye OEToolkits)	2-(3-bromophenyl)-6-chloranyl-quinoline-4-carboxylic acid
Formula	C₁₆ H₉ Br Cl N O₂
Molecular Weight	362.605
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	c2(C(O)=O)cc(c1cc(ccc1)Br)nc3ccc(Cl)cc23
SMILES	CACTVS	3.385	OC(=O)c1cc(nc2ccc(Cl)cc12)c3cccc(Br)c3
SMILES	OpenEye OEToolkits	1.9.2	c1cc(cc(c1)Br)c2cc(c3cc(ccc3n2)Cl)C(=O)O
Canonical SMILES	CACTVS	3.385	OC(=O)c1cc(nc2ccc(Cl)cc12)c3cccc(Br)c3
Canonical SMILES	OpenEye OEToolkits	1.9.2	c1cc(cc(c1)Br)c2cc(c3cc(ccc3n2)Cl)C(=O)O
InChI	InChI	1.03	InChI=1S/C16H9BrClNO2/c17-10-3-1-2-9(6-10)15-8-13(16(20)21)12-7-11(18)4-5-14(12)19-15/h1-8H,(H,20,21)
InChIKey	InChI	1.03	UEYRXZBCYPCXSJ-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	25218890

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