ZR0

4-bromobenzene-1,3-dicarboxylic acid

Created:	2023-07-03
Last modified:	2024-03-06

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1 entries where ZR0 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	18
Chiral Atom Count	0
Bond Count	18
Aromatic Bond Count	6

2D diagram of ZR0

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Chemical Component Summary
Name	4-bromobenzene-1,3-dicarboxylic acid
Systematic Name (OpenEye OEToolkits)	4-bromanylbenzene-1,3-dicarboxylic acid
Formula	C₈ H₅ Br O₄
Molecular Weight	245.027
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	OC(=O)c1cc(ccc1Br)C(=O)O
SMILES	CACTVS	3.385	OC(=O)c1ccc(Br)c(c1)C(O)=O
SMILES	OpenEye OEToolkits	2.0.7	c1cc(c(cc1C(=O)O)C(=O)O)Br
Canonical SMILES	CACTVS	3.385	OC(=O)c1ccc(Br)c(c1)C(O)=O
Canonical SMILES	OpenEye OEToolkits	2.0.7	c1cc(c(cc1C(=O)O)C(=O)O)Br
InChI	InChI	1.06	InChI=1S/C8H5BrO4/c9-6-2-1-4(7(10)11)3-5(6)8(12)13/h1-3H,(H,10,11)(H,12,13)
InChIKey	InChI	1.06	MSQIEZXCNYUWHN-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	81361

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