PZB

4-(4-phenoxy-1H-pyrazol-3-yl)benzene-1,3-diol

Created:	2012-07-23
Last modified:	2012-08-31

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1 entries where PZB is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	32
Chiral Atom Count	0
Bond Count	34
Aromatic Bond Count	17

2D diagram of PZB

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Chemical Component Summary
Name	4-(4-phenoxy-1H-pyrazol-3-yl)benzene-1,3-diol
Systematic Name (OpenEye OEToolkits)	4-(4-phenoxy-1H-pyrazol-3-yl)benzene-1,3-diol
Formula	C₁₅ H₁₂ N₂ O₃
Molecular Weight	268.267
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	Oc3cc(O)c(c2nncc2Oc1ccccc1)cc3
SMILES	CACTVS	3.370	Oc1ccc(c(O)c1)c2n[nH]cc2Oc3ccccc3
SMILES	OpenEye OEToolkits	1.7.6	c1ccc(cc1)Oc2c[nH]nc2c3ccc(cc3O)O
Canonical SMILES	CACTVS	3.370	Oc1ccc(c(O)c1)c2n[nH]cc2Oc3ccccc3
Canonical SMILES	OpenEye OEToolkits	1.7.6	c1ccc(cc1)Oc2c[nH]nc2c3ccc(cc3O)O
InChI	InChI	1.03	InChI=1S/C15H12N2O3/c18-10-6-7-12(13(19)8-10)15-14(9-16-17-15)20-11-4-2-1-3-5-11/h1-9,18-19H,(H,16,17)
InChIKey	InChI	1.03	WUNNLMRNOJZGQB-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	726277

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