BXH

ethyl 2-(2~{H}-1,2,3,4-tetrazol-5-yl)ethanoate

Created:	2017-10-27
Last modified:	2019-02-20

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1 entries where BXH is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	19
Chiral Atom Count	0
Bond Count	19
Aromatic Bond Count	5

2D diagram of BXH

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Chemical Component Summary
Name	ethyl 2-(2~{H}-1,2,3,4-tetrazol-5-yl)ethanoate
Systematic Name (OpenEye OEToolkits)	ethyl 2-(2~{H}-1,2,3,4-tetrazol-5-yl)ethanoate
Formula	C₅ H₈ N₄ O₂
Molecular Weight	156.143
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	CCOC(=O)Cc1n[nH]nn1
SMILES	OpenEye OEToolkits	2.0.6	CCOC(=O)Cc1n[nH]nn1
Canonical SMILES	CACTVS	3.385	CCOC(=O)Cc1n[nH]nn1
Canonical SMILES	OpenEye OEToolkits	2.0.6	CCOC(=O)Cc1n[nH]nn1
InChI	InChI	1.03	InChI=1S/C5H8N4O2/c1-2-11-5(10)3-4-6-8-9-7-4/h2-3H2,1H3,(H,6,7,8,9)
InChIKey	InChI	1.03	NAOHMNNTUFFTBF-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	543616
ChEMBL	CHEMBL1528738

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