methylbenzene;zirconium

C7H7Zr- — CID 154186584

IUPACmethylbenzene;zirconium
SMILESCc1cc[c-]cc1.[Zr]
InChIInChI=1S/C7H7.Zr/c1-7-5-3-2-4-6-7;/h3-6H,1H3;/q-1;
InChIKeyNZCPWWPQCPOKMZ-UHFFFAOYSA-N
MW182.36 g/mol
LogP1.79
Rot. Bonds

About methylbenzene;zirconium

methylbenzene;zirconium (PubChem CID 154186584) has the molecular formula C7H7Zr- and a molecular weight of 182.36 g/mol. Its IUPAC name is methylbenzene;zirconium.

Molecular Properties

Compound Namemethylbenzene;zirconium
PubChem CID154186584
Molecular FormulaC7H7Zr-
Molecular Weight182.36 g/mol
Exact Mass180.96
IUPAC Namemethylbenzene;zirconium
SMILESCc1cc[c-]cc1.[Zr]
InChIInChI=1S/C7H7.Zr/c1-7-5-3-2-4-6-7;/h3-6H,1H3;/q-1;
InChIKeyNZCPWWPQCPOKMZ-UHFFFAOYSA-N
XLogP1.79
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.36
LogP ≤ 51.79
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 methylbenzene;zirconium?
The IUPAC name of methylbenzene;zirconium (CID 154186584) is methylbenzene;zirconium.
What is the SMILES notation for methylbenzene;zirconium?
The canonical SMILES for methylbenzene;zirconium is Cc1cc[c-]cc1.[Zr].
What is the InChIKey of methylbenzene;zirconium?
The InChIKey is NZCPWWPQCPOKMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7.Zr/c1-7-5-3-2-4-6-7;/h3-6H,1H3;/q-1;.
What are the key properties of methylbenzene;zirconium?
methylbenzene;zirconium has a molecular weight of 182.36 g/mol, XLogP of 1.79, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for methylbenzene;zirconium is sourced from PubChem (CID 154186584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).