52C

5-(2-CHLOROPHENYL)-1H-TETRAZOLE

Created:	2012-02-15
Last modified:	2014-09-05

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1 entries where 52C is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	17
Chiral Atom Count	0
Bond Count	18
Aromatic Bond Count	11

2D diagram of 52C

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Chemical Component Summary
Name	5-(2-CHLOROPHENYL)-1H-TETRAZOLE
Systematic Name (OpenEye OEToolkits)	5-(2-chlorophenyl)-1H-1,2,3,4-tetrazole
Formula	C₇ H₅ Cl N₄
Molecular Weight	180.594
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	Clc1ccccc1c2nnnn2
SMILES	CACTVS	3.385	Clc1ccccc1c2[nH]nnn2
SMILES	OpenEye OEToolkits	1.9.2	c1ccc(c(c1)c2[nH]nnn2)Cl
Canonical SMILES	CACTVS	3.385	Clc1ccccc1c2[nH]nnn2
Canonical SMILES	OpenEye OEToolkits	1.9.2	c1ccc(c(c1)c2[nH]nnn2)Cl
InChI	InChI	1.03	InChI=1S/C7H5ClN4/c8-6-4-2-1-3-5(6)7-9-11-12-10-7/h1-4H,(H,9,10,11,12)
InChIKey	InChI	1.03	PSUIIKIEUATWCZ-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	560735
ChEMBL	CHEMBL486329

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