T2F

4-(4-chlorophenyl)-7-methyl-1~{H}-indole-6-carboxylic acid

Created:	2022-12-20
Last modified:	2024-01-10

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1 entries where T2F is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	32
Chiral Atom Count	0
Bond Count	34
Aromatic Bond Count	16

2D diagram of T2F

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Chemical Component Summary
Name	4-(4-chlorophenyl)-7-methyl-1~{H}-indole-6-carboxylic acid
Systematic Name (OpenEye OEToolkits)	4-(4-chlorophenyl)-7-methyl-1~{H}-indole-6-carboxylic acid
Formula	C₁₆ H₁₂ Cl N O₂
Molecular Weight	285.725
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	Cc1c2[nH]ccc2c(cc1C(O)=O)c3ccc(Cl)cc3
SMILES	OpenEye OEToolkits	2.0.7	Cc1c(cc(c2c1[nH]cc2)c3ccc(cc3)Cl)C(=O)O
Canonical SMILES	CACTVS	3.385	Cc1c2[nH]ccc2c(cc1C(O)=O)c3ccc(Cl)cc3
Canonical SMILES	OpenEye OEToolkits	2.0.7	Cc1c(cc(c2c1[nH]cc2)c3ccc(cc3)Cl)C(=O)O
InChI	InChI	1.06	InChI=1S/C16H12ClNO2/c1-9-13(16(19)20)8-14(12-6-7-18-15(9)12)10-2-4-11(17)5-3-10/h2-8,18H,1H3,(H,19,20)
InChIKey	InChI	1.06	HXZMDXUYYVDPRW-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	169501677

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