chloroalumane;formic acid

CH4AlClO2 — CID 173451174

IUPACchloroalumane;formic acid
SMILESO=CO.[AlH2]Cl
InChIInChI=1S/CH2O2.Al.ClH.2H/c2-1-3;;;;/h1H,(H,2,3);;1H;;/q;+1;;;/p-1
InChIKeyVZPAQAHPXRXCOY-UHFFFAOYSA-M
MW110.48 g/mol
LogP-0.53
Rot. Bonds

About chloroalumane;formic acid

chloroalumane;formic acid (PubChem CID 173451174) has the molecular formula CH4AlClO2 and a molecular weight of 110.48 g/mol. Its IUPAC name is chloroalumane;formic acid.

Molecular Properties

Compound Namechloroalumane;formic acid
PubChem CID173451174
Molecular FormulaCH4AlClO2
Molecular Weight110.48 g/mol
Exact Mass109.97
IUPAC Namechloroalumane;formic acid
SMILESO=CO.[AlH2]Cl
InChIInChI=1S/CH2O2.Al.ClH.2H/c2-1-3;;;;/h1H,(H,2,3);;1H;;/q;+1;;;/p-1
InChIKeyVZPAQAHPXRXCOY-UHFFFAOYSA-M
XLogP-0.53
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500110.48
LogP ≤ 5-0.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze chloroalumane;formic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of chloroalumane;formic acid?
The IUPAC name of chloroalumane;formic acid (CID 173451174) is chloroalumane;formic acid.
What is the SMILES notation for chloroalumane;formic acid?
The canonical SMILES for chloroalumane;formic acid is O=CO.[AlH2]Cl.
What is the InChIKey of chloroalumane;formic acid?
The InChIKey is VZPAQAHPXRXCOY-UHFFFAOYSA-M. The full InChI is InChI=1S/CH2O2.Al.ClH.2H/c2-1-3;;;;/h1H,(H,2,3);;1H;;/q;+1;;;/p-1.
What are the key properties of chloroalumane;formic acid?
chloroalumane;formic acid has a molecular weight of 110.48 g/mol, XLogP of -0.53, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for chloroalumane;formic acid is sourced from PubChem (CID 173451174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).