5O5

5-[[3,4-bis(chloranyl)phenoxy]methyl]-1~{H}-1,2,3,4-tetrazole

Created:	2015-10-29
Last modified:	2016-03-09

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1 entries where 5O5 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 5O5

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Chemical Component Summary
Name	5-[[3,4-bis(chloranyl)phenoxy]methyl]-1~{H}-1,2,3,4-tetrazole
Systematic Name (OpenEye OEToolkits)	5-[[3,4-bis(chloranyl)phenoxy]methyl]-1~{H}-1,2,3,4-tetrazole
Formula	C₈ H₆ Cl₂ N₄ O
Molecular Weight	245.065
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	Clc1ccc(OCc2[nH]nnn2)cc1Cl
SMILES	OpenEye OEToolkits	2.0.4	c1cc(c(cc1OCc2[nH]nnn2)Cl)Cl
Canonical SMILES	CACTVS	3.385	Clc1ccc(OCc2[nH]nnn2)cc1Cl
Canonical SMILES	OpenEye OEToolkits	2.0.4	c1cc(c(cc1OCc2[nH]nnn2)Cl)Cl
InChI	InChI	1.03	InChI=1S/C8H6Cl2N4O/c9-6-2-1-5(3-7(6)10)15-4-8-11-13-14-12-8/h1-3H,4H2,(H,11,12,13,14)
InChIKey	InChI	1.03	ZOGKJMQMVBATST-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	82085643

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