CID 158949581

HAlClO2 — CID 158949581

IUPAC—
SMILESOOCl.[Al]
InChIInChI=1S/Al.ClHO2/c;1-3-2/h;2H
InChIKeyJLGGYKHVSCXGNX-UHFFFAOYSA-N
MW95.44 g/mol
LogP0.25
Rot. Bonds

About CID 158949581

CID 158949581 (PubChem CID 158949581) has the molecular formula HAlClO2 and a molecular weight of 95.44 g/mol.

Molecular Properties

Compound NameCID 158949581
PubChem CID158949581
Molecular FormulaHAlClO2
Molecular Weight95.44 g/mol
Exact Mass94.95
IUPAC Name—
SMILESOOCl.[Al]
InChIInChI=1S/Al.ClHO2/c;1-3-2/h;2H
InChIKeyJLGGYKHVSCXGNX-UHFFFAOYSA-N
XLogP0.25
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms4
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50095.44
LogP ≤ 50.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 158949581?
The IUPAC name of CID 158949581 (CID 158949581) is not available.
What is the SMILES notation for CID 158949581?
The canonical SMILES for CID 158949581 is OOCl.[Al].
What is the InChIKey of CID 158949581?
The InChIKey is JLGGYKHVSCXGNX-UHFFFAOYSA-N. The full InChI is InChI=1S/Al.ClHO2/c;1-3-2/h;2H.
What are the key properties of CID 158949581?
CID 158949581 has a molecular weight of 95.44 g/mol, XLogP of 0.25, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 158949581 is sourced from PubChem (CID 158949581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).