WJ7

2-bromo-4-fluoro-N,N-dimethylbenzamide

Created:	2020-10-30
Last modified:	2020-11-11

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5 entries where WJ7 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 WJ7

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Chemical Component Summary
Name	2-bromo-4-fluoro-N,N-dimethylbenzamide
Systematic Name (OpenEye OEToolkits)	2-bromanyl-4-fluoranyl-~{N},~{N}-dimethyl-benzamide
Formula	C₉ H₉ Br F N O
Molecular Weight	246.076
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	c1cc(cc(Br)c1C(N(C)C)=O)F
SMILES	CACTVS	3.385	CN(C)C(=O)c1ccc(F)cc1Br
SMILES	OpenEye OEToolkits	2.0.7	CN(C)C(=O)c1ccc(cc1Br)F
Canonical SMILES	CACTVS	3.385	CN(C)C(=O)c1ccc(F)cc1Br
Canonical SMILES	OpenEye OEToolkits	2.0.7	CN(C)C(=O)c1ccc(cc1Br)F
InChI	InChI	1.03	InChI=1S/C9H9BrFNO/c1-12(2)9(13)7-4-3-6(11)5-8(7)10/h3-5H,1-2H3
InChIKey	InChI	1.03	CGUIJOTZYHWBSQ-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	24689405

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