9TW

3-chloranyl-4-fluoranyl-benzamide

Created:	2017-07-12
Last modified:	2017-08-16

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1 entries where 9TW is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	16
Chiral Atom Count	0
Bond Count	16
Aromatic Bond Count	6

2D diagram of 9TW

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Chemical Component Summary
Name	3-chloranyl-4-fluoranyl-benzamide
Systematic Name (OpenEye OEToolkits)	3-chloranyl-4-fluoranyl-benzamide
Formula	C₇ H₅ Cl F N O
Molecular Weight	173.572
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	NC(=O)c1ccc(F)c(Cl)c1
SMILES	OpenEye OEToolkits	2.0.6	c1cc(c(cc1C(=O)N)Cl)F
Canonical SMILES	CACTVS	3.385	NC(=O)c1ccc(F)c(Cl)c1
Canonical SMILES	OpenEye OEToolkits	2.0.6	c1cc(c(cc1C(=O)N)Cl)F
InChI	InChI	1.03	InChI=1S/C7H5ClFNO/c8-5-3-4(7(10)11)1-2-6(5)9/h1-3H,(H2,10,11)
InChIKey	InChI	1.03	AEYMQEMBMKCNEG-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	2736520
ChEMBL	CHEMBL4074617

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.