acetyl chloride;bis(trichloroalumane)

C2H3Al2Cl7O — CID 11121501

IUPACacetyl chloride;bis(trichloroalumane)
SMILESCC(=O)Cl.Cl[Al](Cl)Cl.Cl[Al](Cl)Cl
InChIInChI=1S/C2H3ClO.2Al.6ClH/c1-2(3)4;;;;;;;;/h1H3;;;6*1H/q;2*+3;;;;;;/p-6
InChIKeyFYXQNYQIPUCDEG-UHFFFAOYSA-H
MW345.18 g/mol
LogP4.15
Rot. Bonds

About acetyl chloride;bis(trichloroalumane)

acetyl chloride;bis(trichloroalumane) (PubChem CID 11121501) has the molecular formula C2H3Al2Cl7O and a molecular weight of 345.18 g/mol. Its IUPAC name is acetyl chloride;bis(trichloroalumane).

Molecular Properties

Compound Nameacetyl chloride;bis(trichloroalumane)
PubChem CID11121501
Molecular FormulaC2H3Al2Cl7O
Molecular Weight345.18 g/mol
Exact Mass341.76
IUPAC Nameacetyl chloride;bis(trichloroalumane)
SMILESCC(=O)Cl.Cl[Al](Cl)Cl.Cl[Al](Cl)Cl
InChIInChI=1S/C2H3ClO.2Al.6ClH/c1-2(3)4;;;;;;;;/h1H3;;;6*1H/q;2*+3;;;;;;/p-6
InChIKeyFYXQNYQIPUCDEG-UHFFFAOYSA-H
XLogP4.15
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.18
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

acetyl chloride;methane
CID 161264261
carbonyl dichloride;propan-2-one
CID 161102507
acetyl chloride;1,2-dichloroethane
CID 159411616
acetyl chloride;hydron;methane;propane
CID 158586991
acetyl 2-oxopropanoate;trichloroalumane
CID 174672999
2,3-dimethylbut-2-enedioyl dichloride
CID 123868279
acetyl chloride;2,2-dimethylpropanamide
CID 157270629
propanamide;trichloroalumane
CID 174958610
acetyl chloride;bicyclo[2.2.1]heptane
CID 157265989
acetic acid;2-chloro-2-oxoacetic acid
CID 162320827
carbonochloridic acid;methanol
CID 159093381
bis(carbonochloridic acid);ethane
CID 175169391

Frequently Asked Questions

What is the IUPAC name of acetyl chloride;bis(trichloroalumane)?
The IUPAC name of acetyl chloride;bis(trichloroalumane) (CID 11121501) is acetyl chloride;bis(trichloroalumane).
What is the SMILES notation for acetyl chloride;bis(trichloroalumane)?
The canonical SMILES for acetyl chloride;bis(trichloroalumane) is CC(=O)Cl.Cl[Al](Cl)Cl.Cl[Al](Cl)Cl.
What is the InChIKey of acetyl chloride;bis(trichloroalumane)?
The InChIKey is FYXQNYQIPUCDEG-UHFFFAOYSA-H. The full InChI is InChI=1S/C2H3ClO.2Al.6ClH/c1-2(3)4;;;;;;;;/h1H3;;;6*1H/q;2*+3;;;;;;/p-6.
What are the key properties of acetyl chloride;bis(trichloroalumane)?
acetyl chloride;bis(trichloroalumane) has a molecular weight of 345.18 g/mol, XLogP of 4.15, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for acetyl chloride;bis(trichloroalumane) is sourced from PubChem (CID 11121501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).