W6B

2-[(3-chloranyl-2-phenyl-phenyl)amino]-5-fluoranyl-benzoic acid

Created:	2023-09-20
Last modified:	2023-12-27

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1 entries where W6B is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	37
Chiral Atom Count	0
Bond Count	39
Aromatic Bond Count	18

2D diagram of W6B

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Chemical Component Summary
Name	2-[(3-chloranyl-2-phenyl-phenyl)amino]-5-fluoranyl-benzoic acid
Systematic Name (OpenEye OEToolkits)	2-[(3-chloranyl-2-phenyl-phenyl)amino]-5-fluoranyl-benzoic acid
Formula	C₁₉ H₁₃ Cl F N O₂
Molecular Weight	341.763
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	OC(=O)c1cc(F)ccc1Nc2cccc(Cl)c2c3ccccc3
SMILES	OpenEye OEToolkits	2.0.7	c1ccc(cc1)c2c(cccc2Cl)Nc3ccc(cc3C(=O)O)F
Canonical SMILES	CACTVS	3.385	OC(=O)c1cc(F)ccc1Nc2cccc(Cl)c2c3ccccc3
Canonical SMILES	OpenEye OEToolkits	2.0.7	c1ccc(cc1)c2c(cccc2Cl)Nc3ccc(cc3C(=O)O)F
InChI	InChI	1.06	InChI=1S/C19H13ClFNO2/c20-15-7-4-8-17(18(15)12-5-2-1-3-6-12)22-16-10-9-13(21)11-14(16)19(23)24/h1-11,22H,(H,23,24)
InChIKey	InChI	1.06	SQBLSUWMJNVDPR-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	169489572

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