4-bromo-1H-inden-1-ide;zirconium

C9H6BrZr- — CID 175030848

IUPAC4-bromo-1H-inden-1-ide;zirconium
SMILESBrc1cccc2[cH-]ccc12.[Zr]
InChIInChI=1S/C9H6Br.Zr/c10-9-6-2-4-7-3-1-5-8(7)9;/h1-6H;/q-1;
InChIKeyZWVGKCOFLOSPIM-UHFFFAOYSA-N
MW285.28 g/mol
LogP3.32
Rot. Bonds

About 4-bromo-1H-inden-1-ide;zirconium

4-bromo-1H-inden-1-ide;zirconium (PubChem CID 175030848) has the molecular formula C9H6BrZr- and a molecular weight of 285.28 g/mol. Its IUPAC name is 4-bromo-1H-inden-1-ide;zirconium.

Molecular Properties

Compound Name4-bromo-1H-inden-1-ide;zirconium
PubChem CID175030848
Molecular FormulaC9H6BrZr-
Molecular Weight285.28 g/mol
Exact Mass282.87
IUPAC Name4-bromo-1H-inden-1-ide;zirconium
SMILESBrc1cccc2[cH-]ccc12.[Zr]
InChIInChI=1S/C9H6Br.Zr/c10-9-6-2-4-7-3-1-5-8(7)9;/h1-6H;/q-1;
InChIKeyZWVGKCOFLOSPIM-UHFFFAOYSA-N
XLogP3.32
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.28
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-1H-inden-1-ide;zirconium?
The IUPAC name of 4-bromo-1H-inden-1-ide;zirconium (CID 175030848) is 4-bromo-1H-inden-1-ide;zirconium.
What is the SMILES notation for 4-bromo-1H-inden-1-ide;zirconium?
The canonical SMILES for 4-bromo-1H-inden-1-ide;zirconium is Brc1cccc2[cH-]ccc12.[Zr].
What is the InChIKey of 4-bromo-1H-inden-1-ide;zirconium?
The InChIKey is ZWVGKCOFLOSPIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6Br.Zr/c10-9-6-2-4-7-3-1-5-8(7)9;/h1-6H;/q-1;.
What are the key properties of 4-bromo-1H-inden-1-ide;zirconium?
4-bromo-1H-inden-1-ide;zirconium has a molecular weight of 285.28 g/mol, XLogP of 3.32, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1H-inden-1-ide;zirconium is sourced from PubChem (CID 175030848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).