dichlorozirconium;phenylsilylmethanamine

C7H11Cl2NSiZr — CID 174434532

IUPACdichlorozirconium;phenylsilylmethanamine
SMILESCl[Zr]Cl.NC[SiH2]c1ccccc1
InChIInChI=1S/C7H11NSi.2ClH.Zr/c8-6-9-7-4-2-1-3-5-7;;;/h1-5H,6,8-9H2;2*1H;/q;;;+2/p-2
InChIKeyFDWOJLLEBWEKFP-UHFFFAOYSA-L
MW299.39 g/mol
LogP0.77
Rot. Bonds2

About dichlorozirconium;phenylsilylmethanamine

dichlorozirconium;phenylsilylmethanamine (PubChem CID 174434532) has the molecular formula C7H11Cl2NSiZr and a molecular weight of 299.39 g/mol. Its IUPAC name is dichlorozirconium;phenylsilylmethanamine.

Molecular Properties

Compound Namedichlorozirconium;phenylsilylmethanamine
PubChem CID174434532
Molecular FormulaC7H11Cl2NSiZr
Molecular Weight299.39 g/mol
Exact Mass296.91
IUPAC Namedichlorozirconium;phenylsilylmethanamine
SMILESCl[Zr]Cl.NC[SiH2]c1ccccc1
InChIInChI=1S/C7H11NSi.2ClH.Zr/c8-6-9-7-4-2-1-3-5-7;;;/h1-5H,6,8-9H2;2*1H;/q;;;+2/p-2
InChIKeyFDWOJLLEBWEKFP-UHFFFAOYSA-L
XLogP0.77
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.39
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of dichlorozirconium;phenylsilylmethanamine?
The IUPAC name of dichlorozirconium;phenylsilylmethanamine (CID 174434532) is dichlorozirconium;phenylsilylmethanamine.
What is the SMILES notation for dichlorozirconium;phenylsilylmethanamine?
The canonical SMILES for dichlorozirconium;phenylsilylmethanamine is Cl[Zr]Cl.NC[SiH2]c1ccccc1.
What is the InChIKey of dichlorozirconium;phenylsilylmethanamine?
The InChIKey is FDWOJLLEBWEKFP-UHFFFAOYSA-L. The full InChI is InChI=1S/C7H11NSi.2ClH.Zr/c8-6-9-7-4-2-1-3-5-7;;;/h1-5H,6,8-9H2;2*1H;/q;;;+2/p-2.
What are the key properties of dichlorozirconium;phenylsilylmethanamine?
dichlorozirconium;phenylsilylmethanamine has a molecular weight of 299.39 g/mol, XLogP of 0.77, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dichlorozirconium;phenylsilylmethanamine is sourced from PubChem (CID 174434532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).