CID 23506324

C2H2Al2BN2O3 — CID 23506324

IUPAC—
SMILESC#N.C#N.[Al+3].[Al+3].[B].[O-2].[O-2].[O-2]
InChIInChI=1S/2CHN.2Al.B.3O/c2*1-2;;;;;;/h2*1H;;;;;;/q;;2*+3;;3*-2
InChIKeyPRAYRJJROZHKKI-UHFFFAOYSA-N
MW166.83 g/mol
LogP-1.22
Rot. Bonds

About CID 23506324

CID 23506324 (PubChem CID 23506324) has the molecular formula C2H2Al2BN2O3 and a molecular weight of 166.83 g/mol.

Molecular Properties

Compound NameCID 23506324
PubChem CID23506324
Molecular FormulaC2H2Al2BN2O3
Molecular Weight166.83 g/mol
Exact Mass166.98
IUPAC Name—
SMILESC#N.C#N.[Al+3].[Al+3].[B].[O-2].[O-2].[O-2]
InChIInChI=1S/2CHN.2Al.B.3O/c2*1-2;;;;;;/h2*1H;;;;;;/q;;2*+3;;3*-2
InChIKeyPRAYRJJROZHKKI-UHFFFAOYSA-N
XLogP-1.22
TPSA133.08 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.83
LogP ≤ 5-1.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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formonitrile;niobium
CID 88640099
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CID 87164485
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CID 174990334
formonitrile;hydron
CID 165360189
formonitrile;molybdenum
CID 87139949
tetraaluminum;tetrakis(oxygen(2-))
CID 172815542

Frequently Asked Questions

What is the IUPAC name of CID 23506324?
The IUPAC name of CID 23506324 (CID 23506324) is not available.
What is the SMILES notation for CID 23506324?
The canonical SMILES for CID 23506324 is C#N.C#N.[Al+3].[Al+3].[B].[O-2].[O-2].[O-2].
What is the InChIKey of CID 23506324?
The InChIKey is PRAYRJJROZHKKI-UHFFFAOYSA-N. The full InChI is InChI=1S/2CHN.2Al.B.3O/c2*1-2;;;;;;/h2*1H;;;;;;/q;;2*+3;;3*-2.
What are the key properties of CID 23506324?
CID 23506324 has a molecular weight of 166.83 g/mol, XLogP of -1.22, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 23506324 is sourced from PubChem (CID 23506324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).