aluminum;calcium;chloride;nitrate

AlCaClNO3+3 — CID 20633899

IUPACaluminum;calcium;chloride;nitrate
SMILESO=[N+]([O-])[O-].[Al+3].[Ca+2].[Cl-]
InChIInChI=1S/Al.Ca.ClH.NO3/c;;;2-1(3)4/h;;1H;/q+3;+2;;-1/p-1
InChIKeySGQZOVOWSCLZRF-UHFFFAOYSA-M
MW164.52 g/mol
LogP-4.00
Rot. Bonds

About aluminum;calcium;chloride;nitrate

aluminum;calcium;chloride;nitrate (PubChem CID 20633899) has the molecular formula AlCaClNO3+3 and a molecular weight of 164.52 g/mol. Its IUPAC name is aluminum;calcium;chloride;nitrate.

Molecular Properties

Compound Namealuminum;calcium;chloride;nitrate
PubChem CID20633899
Molecular FormulaAlCaClNO3+3
Molecular Weight164.52 g/mol
Exact Mass163.90
IUPAC Namealuminum;calcium;chloride;nitrate
SMILESO=[N+]([O-])[O-].[Al+3].[Ca+2].[Cl-]
InChIInChI=1S/Al.Ca.ClH.NO3/c;;;2-1(3)4/h;;1H;/q+3;+2;;-1/p-1
InChIKeySGQZOVOWSCLZRF-UHFFFAOYSA-M
XLogP-4.00
TPSA66.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.52
LogP ≤ 5-4.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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CID 157337195
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CID 160831581
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CID 174590584
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Frequently Asked Questions

What is the IUPAC name of aluminum;calcium;chloride;nitrate?
The IUPAC name of aluminum;calcium;chloride;nitrate (CID 20633899) is aluminum;calcium;chloride;nitrate.
What is the SMILES notation for aluminum;calcium;chloride;nitrate?
The canonical SMILES for aluminum;calcium;chloride;nitrate is O=[N+]([O-])[O-].[Al+3].[Ca+2].[Cl-].
What is the InChIKey of aluminum;calcium;chloride;nitrate?
The InChIKey is SGQZOVOWSCLZRF-UHFFFAOYSA-M. The full InChI is InChI=1S/Al.Ca.ClH.NO3/c;;;2-1(3)4/h;;1H;/q+3;+2;;-1/p-1.
What are the key properties of aluminum;calcium;chloride;nitrate?
aluminum;calcium;chloride;nitrate has a molecular weight of 164.52 g/mol, XLogP of -4.00, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for aluminum;calcium;chloride;nitrate is sourced from PubChem (CID 20633899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).