0F9

4-chloro-2-(1H-pyrazol-3-yl)phenol

Created:	2012-01-04
Last modified:	2012-01-04

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1 entries where 0F9 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	20
Chiral Atom Count	0
Bond Count	21
Aromatic Bond Count	11

2D diagram of 0F9

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Chemical Component Summary
Name	4-chloro-2-(1H-pyrazol-3-yl)phenol
Systematic Name (OpenEye OEToolkits)	4-chloranyl-2-(1H-pyrazol-3-yl)phenol
Formula	C₉ H₇ Cl N₂ O
Molecular Weight	194.618
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	Clc2ccc(O)c(c1nncc1)c2
SMILES	CACTVS	3.370	Oc1ccc(Cl)cc1c2cc[nH]n2
SMILES	OpenEye OEToolkits	1.7.6	c1cc(c(cc1Cl)c2cc[nH]n2)O
Canonical SMILES	CACTVS	3.370	Oc1ccc(Cl)cc1c2cc[nH]n2
Canonical SMILES	OpenEye OEToolkits	1.7.6	c1cc(c(cc1Cl)c2cc[nH]n2)O
InChI	InChI	1.03	InChI=1S/C9H7ClN2O/c10-6-1-2-9(13)7(5-6)8-3-4-11-12-8/h1-5,13H,(H,11,12)
InChIKey	InChI	1.03	DMGLUMYOLOAXJY-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	87756
ChEMBL	CHEMBL2032374

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