VBR

6-chloranyl-2-methyl-1~{H}-indole-5-carboxylic acid

Created:	2023-03-01
Last modified:	2024-01-10

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1 entries where VBR is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	22
Chiral Atom Count	0
Bond Count	23
Aromatic Bond Count	10

2D diagram of VBR

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Chemical Component Summary
Name	6-chloranyl-2-methyl-1~{H}-indole-5-carboxylic acid
Systematic Name (OpenEye OEToolkits)	6-chloranyl-2-methyl-1~{H}-indole-5-carboxylic acid
Formula	C₁₀ H₈ Cl N O₂
Molecular Weight	209.629
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	Cc1[nH]c2cc(Cl)c(cc2c1)C(O)=O
SMILES	OpenEye OEToolkits	2.0.7	Cc1cc2cc(c(cc2[nH]1)Cl)C(=O)O
Canonical SMILES	CACTVS	3.385	Cc1[nH]c2cc(Cl)c(cc2c1)C(O)=O
Canonical SMILES	OpenEye OEToolkits	2.0.7	Cc1cc2cc(c(cc2[nH]1)Cl)C(=O)O
InChI	InChI	1.06	InChI=1S/C10H8ClNO2/c1-5-2-6-3-7(10(13)14)8(11)4-9(6)12-5/h2-4,12H,1H3,(H,13,14)
InChIKey	InChI	1.06	ZOKNNTHGXKIWSP-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	23526798

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