1V1

2-(4-chlorophenyl)-4H-chromen-4-one

Created:	2013-06-13
Last modified:	2013-10-30

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1 entries where 1V1 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	27
Chiral Atom Count	0
Bond Count	29
Aromatic Bond Count	12

2D diagram of 1V1

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Chemical Component Summary
Name	2-(4-chlorophenyl)-4H-chromen-4-one
Systematic Name (OpenEye OEToolkits)	2-(4-chlorophenyl)chromen-4-one
Formula	C₁₅ H₉ Cl O₂
Molecular Weight	256.684
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	Clc3ccc(C=2Oc1ccccc1C(=O)C=2)cc3
SMILES	CACTVS	3.370	Clc1ccc(cc1)C2=CC(=O)c3ccccc3O2
SMILES	OpenEye OEToolkits	1.7.6	c1ccc2c(c1)C(=O)C=C(O2)c3ccc(cc3)Cl
Canonical SMILES	CACTVS	3.370	Clc1ccc(cc1)C2=CC(=O)c3ccccc3O2
Canonical SMILES	OpenEye OEToolkits	1.7.6	c1ccc2c(c1)C(=O)C=C(O2)c3ccc(cc3)Cl
InChI	InChI	1.03	InChI=1S/C15H9ClO2/c16-11-7-5-10(6-8-11)15-9-13(17)12-3-1-2-4-14(12)18-15/h1-9H
InChIKey	InChI	1.03	BUEVXCMRYKDSMY-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
Pharos	CHEMBL16783
PubChem	151515
ChEMBL	CHEMBL16783
CCDC/CSD	OCERIZ
COD	2233037

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