LW3

2-(5-bromanyl-6-chloranyl-1H-indazol-3-yl)ethanenitrile

Created:	2022-07-14
Last modified:	2022-10-12

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1 entries where LW3 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	19
Chiral Atom Count	0
Bond Count	20
Aromatic Bond Count	10

2D diagram of LW3

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Chemical Component Summary
Name	2-(5-bromanyl-6-chloranyl-1H-indazol-3-yl)ethanenitrile
Systematic Name (OpenEye OEToolkits)	2-(5-bromanyl-6-chloranyl-1~{H}-indazol-3-yl)ethanenitrile
Formula	C₉ H₅ Br Cl N₃
Molecular Weight	270.513
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	Clc1cc2[nH]nc(CC#N)c2cc1Br
SMILES	OpenEye OEToolkits	2.0.7	c1c2c(cc(c1Br)Cl)[nH]nc2CC#N
Canonical SMILES	CACTVS	3.385	Clc1cc2[nH]nc(CC#N)c2cc1Br
Canonical SMILES	OpenEye OEToolkits	2.0.7	c1c2c(cc(c1Br)Cl)[nH]nc2CC#N
InChI	InChI	1.06	InChI=1S/C9H5BrClN3/c10-6-3-5-8(1-2-12)13-14-9(5)4-7(6)11/h3-4H,1H2,(H,13,14)
InChIKey	InChI	1.06	FAGVHGZPQSWXCE-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	165368572

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