aluminum;chloro phosphate;ethanolate

C2H5AlClO5P — CID 88806976

IUPACaluminum;chloro phosphate;ethanolate
SMILESCC[O-].O=P([O-])([O-])OCl.[Al+3]
InChIInChI=1S/C2H5O.Al.ClH2O4P/c1-2-3;;1-5-6(2,3)4/h2H2,1H3;;(H2,2,3,4)/q-1;+3;/p-2
InChIKeyACCJXIXRZYGYJP-UHFFFAOYSA-L
MW202.47 g/mol
LogP-2.03
Rot. Bonds1

About aluminum;chloro phosphate;ethanolate

aluminum;chloro phosphate;ethanolate (PubChem CID 88806976) has the molecular formula C2H5AlClO5P and a molecular weight of 202.47 g/mol. Its IUPAC name is aluminum;chloro phosphate;ethanolate.

Molecular Properties

Compound Namealuminum;chloro phosphate;ethanolate
PubChem CID88806976
Molecular FormulaC2H5AlClO5P
Molecular Weight202.47 g/mol
Exact Mass201.94
IUPAC Namealuminum;chloro phosphate;ethanolate
SMILESCC[O-].O=P([O-])([O-])OCl.[Al+3]
InChIInChI=1S/C2H5O.Al.ClH2O4P/c1-2-3;;1-5-6(2,3)4/h2H2,1H3;;(H2,2,3,4)/q-1;+3;/p-2
InChIKeyACCJXIXRZYGYJP-UHFFFAOYSA-L
XLogP-2.03
TPSA95.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.47
LogP ≤ 5-2.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

sodium;ethanolate;phosphoric acid
CID 158540403
sodium chlorooxy(fluoro)phosphinate
CID 174230020
hexasodium;tris(ethyl-dioxido-oxo-λ5-phosphane)
CID 176986866
tetrasodium ethyl phosphate
CID 141178132
[chlorooxy(ethyl)phosphoryl] hypochlorite
CID 139922572
disodium;ethyl phosphate
CID 11970393
disodium bis(diethyl phosphate)
CID 57370561
barium(2+);ethyl phosphate
CID 12691393
aluminum;alumane;ethanolate
CID 159890458
aluminum;triethyl phosphate;phosphate
CID 174993171
chloro hypochlorite;tris(zirconium(4+));tetraphosphate
CID 163896602
aluminum [(E)-3-ethoxyprop-1-enyl] phosphate
CID 20550510

Frequently Asked Questions

What is the IUPAC name of aluminum;chloro phosphate;ethanolate?
The IUPAC name of aluminum;chloro phosphate;ethanolate (CID 88806976) is aluminum;chloro phosphate;ethanolate.
What is the SMILES notation for aluminum;chloro phosphate;ethanolate?
The canonical SMILES for aluminum;chloro phosphate;ethanolate is CC[O-].O=P([O-])([O-])OCl.[Al+3].
What is the InChIKey of aluminum;chloro phosphate;ethanolate?
The InChIKey is ACCJXIXRZYGYJP-UHFFFAOYSA-L. The full InChI is InChI=1S/C2H5O.Al.ClH2O4P/c1-2-3;;1-5-6(2,3)4/h2H2,1H3;;(H2,2,3,4)/q-1;+3;/p-2.
What are the key properties of aluminum;chloro phosphate;ethanolate?
aluminum;chloro phosphate;ethanolate has a molecular weight of 202.47 g/mol, XLogP of -2.03, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for aluminum;chloro phosphate;ethanolate is sourced from PubChem (CID 88806976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).