CID 173410988

HAlClNO2 — CID 173410988

IUPAC—
SMILESO=NO.[Al]Cl
InChIInChI=1S/Al.ClH.HNO2/c;;2-1-3/h;1H;(H,2,3)/q+1;;/p-1
InChIKeyGGKIBXWDTCZKLV-UHFFFAOYSA-M
MW109.45 g/mol
LogP0.45
Rot. Bonds

About CID 173410988

CID 173410988 (PubChem CID 173410988) has the molecular formula HAlClNO2 and a molecular weight of 109.45 g/mol.

Molecular Properties

Compound NameCID 173410988
PubChem CID173410988
Molecular FormulaHAlClNO2
Molecular Weight109.45 g/mol
Exact Mass108.95
IUPAC Name—
SMILESO=NO.[Al]Cl
InChIInChI=1S/Al.ClH.HNO2/c;;2-1-3/h;1H;(H,2,3)/q+1;;/p-1
InChIKeyGGKIBXWDTCZKLV-UHFFFAOYSA-M
XLogP0.45
TPSA49.66 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500109.45
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 173410988?
The IUPAC name of CID 173410988 (CID 173410988) is not available.
What is the SMILES notation for CID 173410988?
The canonical SMILES for CID 173410988 is O=NO.[Al]Cl.
What is the InChIKey of CID 173410988?
The InChIKey is GGKIBXWDTCZKLV-UHFFFAOYSA-M. The full InChI is InChI=1S/Al.ClH.HNO2/c;;2-1-3/h;1H;(H,2,3)/q+1;;/p-1.
What are the key properties of CID 173410988?
CID 173410988 has a molecular weight of 109.45 g/mol, XLogP of 0.45, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 173410988 is sourced from PubChem (CID 173410988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).