HQJ

4-(3-chlorophenyl)-1H-imidazole

Created:	2018-07-17
Last modified:	2018-11-14

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1 entries where HQJ 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	11

2D diagram of HQJ

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Chemical Component Summary
Name	4-(3-chlorophenyl)-1H-imidazole
Systematic Name (OpenEye OEToolkits)	4-(3-chlorophenyl)-1~{H}-imidazole
Formula	C₉ H₇ Cl N₂
Molecular Weight	178.618
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	c1(cccc(c1)c2cncn2)Cl
SMILES	CACTVS	3.385	Clc1cccc(c1)c2c[nH]cn2
SMILES	OpenEye OEToolkits	2.0.6	c1cc(cc(c1)Cl)c2c[nH]cn2
Canonical SMILES	CACTVS	3.385	Clc1cccc(c1)c2c[nH]cn2
Canonical SMILES	OpenEye OEToolkits	2.0.6	c1cc(cc(c1)Cl)c2c[nH]cn2
InChI	InChI	1.03	InChI=1S/C9H7ClN2/c10-8-3-1-2-7(4-8)9-5-11-6-12-9/h1-6H,(H,11,12)
InChIKey	InChI	1.03	YAJYVAFOVNSPBQ-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	45120708

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