LT8

2-pyrazol-1-ylbenzoic acid

Created:	2019-09-03
Last modified:	2020-04-22

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1 entries where LT8 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	22
Chiral Atom Count	0
Bond Count	23
Aromatic Bond Count	11

2D diagram of LT8

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Chemical Component Summary
Name	2-pyrazol-1-ylbenzoic acid
Systematic Name (OpenEye OEToolkits)	2-pyrazol-1-ylbenzoic acid
Formula	C₁₀ H₈ N₂ O₂
Molecular Weight	188.183
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	OC(=O)c1ccccc1n2cccn2
SMILES	OpenEye OEToolkits	2.0.7	c1ccc(c(c1)C(=O)O)n2cccn2
Canonical SMILES	CACTVS	3.385	OC(=O)c1ccccc1n2cccn2
Canonical SMILES	OpenEye OEToolkits	2.0.7	c1ccc(c(c1)C(=O)O)n2cccn2
InChI	InChI	1.03	InChI=1S/C10H8N2O2/c13-10(14)8-4-1-2-5-9(8)12-7-3-6-11-12/h1-7H,(H,13,14)
InChIKey	InChI	1.03	MHACZVWKWUMHRR-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	4738383

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