0CT

1H-benzotriazole

Created:	2011-12-09
Last modified:	2011-12-09

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2 entries where 0CT is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	14
Chiral Atom Count	0
Bond Count	15
Aromatic Bond Count	10

2D diagram of 0CT

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Chemical Component Summary
Name	1H-benzotriazole
Systematic Name (OpenEye OEToolkits)	1H-benzotriazole
Formula	C₆ H₅ N₃
Molecular Weight	119.124
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	n1nnc2ccccc12
SMILES	CACTVS	3.370	[nH]1nnc2ccccc12
SMILES	OpenEye OEToolkits	1.7.6	c1ccc2c(c1)[nH]nn2
Canonical SMILES	CACTVS	3.370	[nH]1nnc2ccccc12
Canonical SMILES	OpenEye OEToolkits	1.7.6	c1ccc2c(c1)[nH]nn2
InChI	InChI	1.03	InChI=1S/C6H5N3/c1-2-4-6-5(3-1)7-9-8-6/h1-4H,(H,7,8,9)
InChIKey	InChI	1.03	QRUDEWIWKLJBPS-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	7220
ChEMBL	CHEMBL84963
ChEBI	CHEBI:75331
CCDC/CSD	BZTRAZ02, BZTRAZ01, HUHRAD, DIWCAO, APIJIV
COD	2206687

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