A9B

5-(4-chlorophenyl)furan-2-carbohydrazide

Created:	2017-08-17
Last modified:	2017-11-01

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2 entries where A9B is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	25
Chiral Atom Count	0
Bond Count	26
Aromatic Bond Count	11

2D diagram of A9B

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Chemical Component Summary
Name	5-(4-chlorophenyl)furan-2-carbohydrazide
Systematic Name (OpenEye OEToolkits)	5-(4-chlorophenyl)furan-2-carbohydrazide
Formula	C₁₁ H₉ Cl N₂ O₂
Molecular Weight	236.654
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	NNC(=O)c1oc(cc1)c2ccc(Cl)cc2
SMILES	OpenEye OEToolkits	2.0.6	c1cc(ccc1c2ccc(o2)C(=O)NN)Cl
Canonical SMILES	CACTVS	3.385	NNC(=O)c1oc(cc1)c2ccc(Cl)cc2
Canonical SMILES	OpenEye OEToolkits	2.0.6	c1cc(ccc1c2ccc(o2)C(=O)NN)Cl
InChI	InChI	1.03	InChI=1S/C11H9ClN2O2/c12-8-3-1-7(2-4-8)9-5-6-10(16-9)11(15)14-13/h1-6H,13H2,(H,14,15)
InChIKey	InChI	1.03	CSIJNNYNKHESOD-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	705834
ChEMBL	CHEMBL4127864

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.