K6X

3,4,5,6,7-pentabromo-1H-indazole

Created:	2009-12-04
Last modified:	2011-06-04

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1 entries where K6X is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	15
Chiral Atom Count	0
Bond Count	16
Aromatic Bond Count	10

2D diagram of K6X

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Chemical Component Summary
Name	3,4,5,6,7-pentabromo-1H-indazole
Systematic Name (OpenEye OEToolkits)	3,4,5,6,7-pentabromo-1H-indazole
Formula	C₇ H Br₅ N₂
Molecular Weight	512.616
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.352	Brc1n[nH]c2c(Br)c(Br)c(Br)c(Br)c12
SMILES	OpenEye OEToolkits	1.7.0	c12c(c(c(c(c1Br)Br)Br)Br)[nH]nc2Br
Canonical SMILES	CACTVS	3.352	Brc1n[nH]c2c(Br)c(Br)c(Br)c(Br)c12
Canonical SMILES	OpenEye OEToolkits	1.7.0	c12c(c(c(c(c1Br)Br)Br)Br)[nH]nc2Br
InChI	InChI	1.03	InChI=1S/C7HBr5N2/c8-2-1-6(13-14-7(1)12)5(11)4(10)3(2)9/h(H,13,14)
InChIKey	InChI	1.03	WQPXVZWNOLUBMY-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	46943414

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