bromobenzene;cyclopenta-1,3-diene;zirconium

C11H10BrZr- — CID 174293313

IUPACbromobenzene;cyclopenta-1,3-diene;zirconium
SMILESBrc1ccccc1.[C-]1=CC=CC1.[Zr]
InChIInChI=1S/C6H5Br.C5H5.Zr/c7-6-4-2-1-3-5-6;1-2-4-5-3-1;/h1-5H;1-3H,4H2;/q;-1;
InChIKeyLDZMHINMIWROLH-UHFFFAOYSA-N
MW313.33 g/mol
LogP3.75
Rot. Bonds

About bromobenzene;cyclopenta-1,3-diene;zirconium

bromobenzene;cyclopenta-1,3-diene;zirconium (PubChem CID 174293313) has the molecular formula C11H10BrZr- and a molecular weight of 313.33 g/mol. Its IUPAC name is bromobenzene;cyclopenta-1,3-diene;zirconium.

Molecular Properties

Compound Namebromobenzene;cyclopenta-1,3-diene;zirconium
PubChem CID174293313
Molecular FormulaC11H10BrZr-
Molecular Weight313.33 g/mol
Exact Mass310.90
IUPAC Namebromobenzene;cyclopenta-1,3-diene;zirconium
SMILESBrc1ccccc1.[C-]1=CC=CC1.[Zr]
InChIInChI=1S/C6H5Br.C5H5.Zr/c7-6-4-2-1-3-5-6;1-2-4-5-3-1;/h1-5H;1-3H,4H2;/q;-1;
InChIKeyLDZMHINMIWROLH-UHFFFAOYSA-N
XLogP3.75
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.33
LogP ≤ 53.75
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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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of bromobenzene;cyclopenta-1,3-diene;zirconium?
The IUPAC name of bromobenzene;cyclopenta-1,3-diene;zirconium (CID 174293313) is bromobenzene;cyclopenta-1,3-diene;zirconium.
What is the SMILES notation for bromobenzene;cyclopenta-1,3-diene;zirconium?
The canonical SMILES for bromobenzene;cyclopenta-1,3-diene;zirconium is Brc1ccccc1.[C-]1=CC=CC1.[Zr].
What is the InChIKey of bromobenzene;cyclopenta-1,3-diene;zirconium?
The InChIKey is LDZMHINMIWROLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5Br.C5H5.Zr/c7-6-4-2-1-3-5-6;1-2-4-5-3-1;/h1-5H;1-3H,4H2;/q;-1;.
What are the key properties of bromobenzene;cyclopenta-1,3-diene;zirconium?
bromobenzene;cyclopenta-1,3-diene;zirconium has a molecular weight of 313.33 g/mol, XLogP of 3.75, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bromobenzene;cyclopenta-1,3-diene;zirconium is sourced from PubChem (CID 174293313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).