IS0

4-bromanyl-1,2-dimethoxy-benzene

Created:	2022-04-11
Last modified:	2022-11-23

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1 entries where IS0 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	20
Chiral Atom Count	0
Bond Count	20
Aromatic Bond Count	6

2D diagram of IS0

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Chemical Component Summary
Name	4-bromanyl-1,2-dimethoxy-benzene
Systematic Name (OpenEye OEToolkits)	4-bromanyl-1,2-dimethoxy-benzene
Formula	C₈ H₉ Br O₂
Molecular Weight	217.06
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	COc1ccc(Br)cc1OC
SMILES	OpenEye OEToolkits	2.0.7	COc1ccc(cc1OC)Br
Canonical SMILES	CACTVS	3.385	COc1ccc(Br)cc1OC
Canonical SMILES	OpenEye OEToolkits	2.0.7	COc1ccc(cc1OC)Br
InChI	InChI	1.06	InChI=1S/C8H9BrO2/c1-10-7-4-3-6(9)5-8(7)11-2/h3-5H,1-2H3
InChIKey	InChI	1.06	KBTMGSMZIKLAHN-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	76114

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