chloro(phenyl)alumane

C6H6AlCl — CID 173322190

IUPACchloro(phenyl)alumane
SMILESCl[AlH]c1ccccc1
InChIInChI=1S/C6H5.Al.ClH.H/c1-2-4-6-5-3-1;;;/h1-5H;;1H;/q;+1;;/p-1
InChIKeyQYNNWPORZOXLES-UHFFFAOYSA-M
MW140.55 g/mol
LogP0.90
Rot. Bonds1

About chloro(phenyl)alumane

chloro(phenyl)alumane (PubChem CID 173322190) has the molecular formula C6H6AlCl and a molecular weight of 140.55 g/mol. Its IUPAC name is chloro(phenyl)alumane.

Molecular Properties

Compound Namechloro(phenyl)alumane
PubChem CID173322190
Molecular FormulaC6H6AlCl
Molecular Weight140.55 g/mol
Exact Mass140.00
IUPAC Namechloro(phenyl)alumane
SMILESCl[AlH]c1ccccc1
InChIInChI=1S/C6H5.Al.ClH.H/c1-2-4-6-5-3-1;;;/h1-5H;;1H;/q;+1;;/p-1
InChIKeyQYNNWPORZOXLES-UHFFFAOYSA-M
XLogP0.90
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.55
LogP ≤ 50.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of chloro(phenyl)alumane?
The IUPAC name of chloro(phenyl)alumane (CID 173322190) is chloro(phenyl)alumane.
What is the SMILES notation for chloro(phenyl)alumane?
The canonical SMILES for chloro(phenyl)alumane is Cl[AlH]c1ccccc1.
What is the InChIKey of chloro(phenyl)alumane?
The InChIKey is QYNNWPORZOXLES-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H5.Al.ClH.H/c1-2-4-6-5-3-1;;;/h1-5H;;1H;/q;+1;;/p-1.
What are the key properties of chloro(phenyl)alumane?
chloro(phenyl)alumane has a molecular weight of 140.55 g/mol, XLogP of 0.90, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for chloro(phenyl)alumane is sourced from PubChem (CID 173322190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).