7M0

5,6-DIBROMOBENZOTRIAZOLE

Created:	2016-11-18
Last modified:	2021-03-01

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5 entries where 7M0 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	14
Chiral Atom Count	0
Bond Count	15
Aromatic Bond Count	10

2D diagram of 7M0

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Chemical Component Summary
Name	5,6-DIBROMOBENZOTRIAZOLE
Synonyms	DIBROMO-2-BENZOTRIAZOLE
Systematic Name (OpenEye OEToolkits)	5,6-bis(bromanyl)-1~{H}-benzotriazole
Formula	C₆ H₃ Br₂ N₃
Molecular Weight	276.916
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	Brc1cc2[nH]nnc2cc1Br
SMILES	OpenEye OEToolkits	2.0.6	c1c2c(cc(c1Br)Br)nn[nH]2
Canonical SMILES	CACTVS	3.385	Brc1cc2[nH]nnc2cc1Br
Canonical SMILES	OpenEye OEToolkits	2.0.6	c1c2c(cc(c1Br)Br)nn[nH]2
InChI	InChI	1.03	InChI=1S/C6H3Br2N3/c7-3-1-5-6(2-4(3)8)10-11-9-5/h1-2H,(H,9,10,11)
InChIKey	InChI	1.03	DULRVLLMOREPRG-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	6415885

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM157729.