KEX

5-bromanyl-6-chloranyl-3-(1~{H}-1,2,3,4-tetrazol-5-ylmethyl)-1~{H}-indole

Created:	2022-05-25
Last modified:	2022-10-12

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1 entries where KEX is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	24
Chiral Atom Count	0
Bond Count	26
Aromatic Bond Count	15

2D diagram of KEX

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Chemical Component Summary
Name	5-bromanyl-6-chloranyl-3-(1~{H}-1,2,3,4-tetrazol-5-ylmethyl)-1~{H}-indole
Systematic Name (OpenEye OEToolkits)	5-bromanyl-6-chloranyl-3-(1~{H}-1,2,3,4-tetrazol-5-ylmethyl)-1~{H}-indole
Formula	C₁₀ H₇ Br Cl N₅
Molecular Weight	312.553
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	Clc1cc2[nH]cc(Cc3[nH]nnn3)c2cc1Br
SMILES	OpenEye OEToolkits	2.0.7	c1c2c(cc(c1Br)Cl)[nH]cc2Cc3[nH]nnn3
Canonical SMILES	CACTVS	3.385	Clc1cc2[nH]cc(Cc3[nH]nnn3)c2cc1Br
Canonical SMILES	OpenEye OEToolkits	2.0.7	c1c2c(cc(c1Br)Cl)[nH]cc2Cc3[nH]nnn3
InChI	InChI	1.06	InChI=1S/C10H7BrClN5/c11-7-2-6-5(1-10-14-16-17-15-10)4-13-9(6)3-8(7)12/h2-4,13H,1H2,(H,14,15,16,17)
InChIKey	InChI	1.06	HTQRKTDCAPEPRW-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	165368556

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