chloromethylbenzene;ruthenium

C7H7ClRu — CID 161305198

IUPACchloromethylbenzene;ruthenium
SMILESClCc1ccccc1.[Ru]
InChIInChI=1S/C7H7Cl.Ru/c8-6-7-4-2-1-3-5-7;/h1-5H,6H2;
InChIKeyVIDQEYCQNOAHHC-UHFFFAOYSA-N
MW227.66 g/mol
LogP2.42
Rot. Bonds1

About chloromethylbenzene;ruthenium

chloromethylbenzene;ruthenium (PubChem CID 161305198) has the molecular formula C7H7ClRu and a molecular weight of 227.66 g/mol. Its IUPAC name is chloromethylbenzene;ruthenium.

Molecular Properties

Compound Namechloromethylbenzene;ruthenium
PubChem CID161305198
Molecular FormulaC7H7ClRu
Molecular Weight227.66 g/mol
Exact Mass227.93
IUPAC Namechloromethylbenzene;ruthenium
SMILESClCc1ccccc1.[Ru]
InChIInChI=1S/C7H7Cl.Ru/c8-6-7-4-2-1-3-5-7;/h1-5H,6H2;
InChIKeyVIDQEYCQNOAHHC-UHFFFAOYSA-N
XLogP2.42
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.66
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of chloromethylbenzene;ruthenium?
The IUPAC name of chloromethylbenzene;ruthenium (CID 161305198) is chloromethylbenzene;ruthenium.
What is the SMILES notation for chloromethylbenzene;ruthenium?
The canonical SMILES for chloromethylbenzene;ruthenium is ClCc1ccccc1.[Ru].
What is the InChIKey of chloromethylbenzene;ruthenium?
The InChIKey is VIDQEYCQNOAHHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7Cl.Ru/c8-6-7-4-2-1-3-5-7;/h1-5H,6H2;.
What are the key properties of chloromethylbenzene;ruthenium?
chloromethylbenzene;ruthenium has a molecular weight of 227.66 g/mol, XLogP of 2.42, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for chloromethylbenzene;ruthenium is sourced from PubChem (CID 161305198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).