A1H6Y

1-bromanyl-4-methylsulfonyl-benzene

Created:	2024-03-27
Last modified:	2024-11-06

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1 entries where A1H6Y is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	18
Chiral Atom Count	0
Bond Count	18
Aromatic Bond Count	6

2D diagram of A1H6Y

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Chemical Component Summary
Name	1-bromanyl-4-methylsulfonyl-benzene
Systematic Name (OpenEye OEToolkits)	1-bromanyl-4-methylsulfonyl-benzene
Formula	C₇ H₇ Br O₂ S
Molecular Weight	235.098
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	C[S](=O)(=O)c1ccc(Br)cc1
SMILES	OpenEye OEToolkits	2.0.7	CS(=O)(=O)c1ccc(cc1)Br
Canonical SMILES	CACTVS	3.385	C[S](=O)(=O)c1ccc(Br)cc1
Canonical SMILES	OpenEye OEToolkits	2.0.7	CS(=O)(=O)c1ccc(cc1)Br
InChI	InChI	1.06	InChI=1S/C7H7BrO2S/c1-11(9,10)7-4-2-6(8)3-5-7/h2-5H,1H3
InChIKey	InChI	1.06	FJLFSYRGFJDJMQ-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	77014

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.