V86

2-bromo-N-ethylbenzamide

Created:	2022-08-29
Last modified:	2022-11-02

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1 entries where V86 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	22
Chiral Atom Count	0
Bond Count	22
Aromatic Bond Count	6

2D diagram of V86

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Chemical Component Summary
Name	2-bromo-N-ethylbenzamide
Systematic Name (OpenEye OEToolkits)	2-bromanyl-~{N}-ethyl-benzamide
Formula	C₉ H₁₀ Br N O
Molecular Weight	228.086
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C(NCC)c1ccccc1Br
SMILES	CACTVS	3.385	CCNC(=O)c1ccccc1Br
SMILES	OpenEye OEToolkits	2.0.7	CCNC(=O)c1ccccc1Br
Canonical SMILES	CACTVS	3.385	CCNC(=O)c1ccccc1Br
Canonical SMILES	OpenEye OEToolkits	2.0.7	CCNC(=O)c1ccccc1Br
InChI	InChI	1.06	InChI=1S/C9H10BrNO/c1-2-11-9(12)7-5-3-4-6-8(7)10/h3-6H,2H2,1H3,(H,11,12)
InChIKey	InChI	1.06	DWCBZUWYUAIEEP-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	3450992

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.