6J5

5-[(2-chloranylphenoxy)methyl]-1H-1,2,3,4-tetrazole

Created:	2015-10-29
Last modified:	2016-03-02

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1 entries where 6J5 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	21
Chiral Atom Count	0
Bond Count	22
Aromatic Bond Count	11

2D diagram of 6J5

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Chemical Component Summary
Name	5-[(2-chloranylphenoxy)methyl]-1H-1,2,3,4-tetrazole
Systematic Name (OpenEye OEToolkits)	5-[(2-chloranylphenoxy)methyl]-1H-1,2,3,4-tetrazole
Formula	C₈ H₇ Cl N₄ O
Molecular Weight	210.62
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	Clc1ccccc1OCc2[nH]nnn2
SMILES	OpenEye OEToolkits	1.7.6	c1ccc(c(c1)OCc2[nH]nnn2)Cl
Canonical SMILES	CACTVS	3.385	Clc1ccccc1OCc2[nH]nnn2
Canonical SMILES	OpenEye OEToolkits	1.7.6	c1ccc(c(c1)OCc2[nH]nnn2)Cl
InChI	InChI	1.03	InChI=1S/C8H7ClN4O/c9-6-3-1-2-4-7(6)14-5-8-10-12-13-11-8/h1-4H,5H2,(H,10,11,12,13)
InChIKey	InChI	1.03	QXXWYYZZLHSBJK-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	2743647
ChEMBL	CHEMBL1878328

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