H2W

3-(4-chlorophenyl)-5-fluoroisoquinolin-1(2H)-one

Created:	2014-08-08
Last modified:	2015-07-29

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1 entries where H2W is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	28
Chiral Atom Count	0
Bond Count	30
Aromatic Bond Count	12

2D diagram of H2W

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Chemical Component Summary
Name	3-(4-chlorophenyl)-5-fluoroisoquinolin-1(2H)-one
Systematic Name (OpenEye OEToolkits)	3-(4-chlorophenyl)-5-fluoranyl-2H-isoquinolin-1-one
Formula	C₁₅ H₉ Cl F N O
Molecular Weight	273.689
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	Clc3ccc(C2=Cc1c(cccc1F)C(=O)N2)cc3
SMILES	CACTVS	3.385	Fc1cccc2C(=O)NC(=Cc12)c3ccc(Cl)cc3
SMILES	OpenEye OEToolkits	1.7.6	c1cc2c(c(c1)F)C=C(NC2=O)c3ccc(cc3)Cl
Canonical SMILES	CACTVS	3.385	Fc1cccc2C(=O)NC(=Cc12)c3ccc(Cl)cc3
Canonical SMILES	OpenEye OEToolkits	1.7.6	c1cc2c(c(c1)F)C=C(NC2=O)c3ccc(cc3)Cl
InChI	InChI	1.03	InChI=1S/C15H9ClFNO/c16-10-6-4-9(5-7-10)14-8-12-11(15(19)18-14)2-1-3-13(12)17/h1-8H,(H,18,19)
InChIKey	InChI	1.03	YSBUWGJBGQCVAY-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	76280730

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