aluminum;1-nitroethane;trichloride

C2H5AlCl3NO2 — CID 160633752

IUPACaluminum;1-nitroethane;trichloride
SMILESCC[N+](=O)[O-].[Al+3].[Cl-].[Cl-].[Cl-]
InChIInChI=1S/C2H5NO2.Al.3ClH/c1-2-3(4)5;;;;/h2H2,1H3;;3*1H/q;+3;;;/p-3
InChIKeyRIGKNZWDWYGHNG-UHFFFAOYSA-K
MW208.41 g/mol
LogP-9.09
Rot. Bonds1

About aluminum;1-nitroethane;trichloride

aluminum;1-nitroethane;trichloride (PubChem CID 160633752) has the molecular formula C2H5AlCl3NO2 and a molecular weight of 208.41 g/mol. Its IUPAC name is aluminum;1-nitroethane;trichloride.

Molecular Properties

Compound Namealuminum;1-nitroethane;trichloride
PubChem CID160633752
Molecular FormulaC2H5AlCl3NO2
Molecular Weight208.41 g/mol
Exact Mass206.92
IUPAC Namealuminum;1-nitroethane;trichloride
SMILESCC[N+](=O)[O-].[Al+3].[Cl-].[Cl-].[Cl-]
InChIInChI=1S/C2H5NO2.Al.3ClH/c1-2-3(4)5;;;;/h2H2,1H3;;3*1H/q;+3;;;/p-3
InChIKeyRIGKNZWDWYGHNG-UHFFFAOYSA-K
XLogP-9.09
TPSA43.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.41
LogP ≤ 5-9.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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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Frequently Asked Questions

What is the IUPAC name of aluminum;1-nitroethane;trichloride?
The IUPAC name of aluminum;1-nitroethane;trichloride (CID 160633752) is aluminum;1-nitroethane;trichloride.
What is the SMILES notation for aluminum;1-nitroethane;trichloride?
The canonical SMILES for aluminum;1-nitroethane;trichloride is CC[N+](=O)[O-].[Al+3].[Cl-].[Cl-].[Cl-].
What is the InChIKey of aluminum;1-nitroethane;trichloride?
The InChIKey is RIGKNZWDWYGHNG-UHFFFAOYSA-K. The full InChI is InChI=1S/C2H5NO2.Al.3ClH/c1-2-3(4)5;;;;/h2H2,1H3;;3*1H/q;+3;;;/p-3.
What are the key properties of aluminum;1-nitroethane;trichloride?
aluminum;1-nitroethane;trichloride has a molecular weight of 208.41 g/mol, XLogP of -9.09, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for aluminum;1-nitroethane;trichloride is sourced from PubChem (CID 160633752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).