K17

4,5,6,7-TETRABROMO-BENZIMIDAZOLE

Created:	2007-03-12
Last modified:	2011-06-04

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2 entries where K17 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	6

2D diagram of K17

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Chemical Component Summary
Name	4,5,6,7-TETRABROMO-BENZIMIDAZOLE
Systematic Name (OpenEye OEToolkits)	4,5,6,7-tetrabromo-1H-benzimidazole
Formula	C₇ H₂ Br₄ N₂
Molecular Weight	433.72
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	Brc2c1c(ncn1)c(Br)c(Br)c2Br
SMILES	CACTVS	3.341	Brc1c(Br)c(Br)c2nc[nH]c2c1Br
SMILES	OpenEye OEToolkits	1.5.0	c1[nH]c2c(n1)c(c(c(c2Br)Br)Br)Br
Canonical SMILES	CACTVS	3.341	Brc1c(Br)c(Br)c2nc[nH]c2c1Br
Canonical SMILES	OpenEye OEToolkits	1.5.0	c1[nH]c2c(n1)c(c(c(c2Br)Br)Br)Br
InChI	InChI	1.03	InChI=1S/C7H2Br4N2/c8-2-3(9)5(11)7-6(4(2)10)12-1-13-7/h1H,(H,12,13)
InChIKey	InChI	1.03	LOEIRDBRYBHAJB-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	5149739
ChEMBL	CHEMBL373937
CCDC/CSD	QOHTEO

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