azanium 6-oxidobenzo[c][2,1]benzoxaphosphinine 6-oxide

C12H12NO3P — CID 164511629

IUPACazanium 6-oxidobenzo[c][2,1]benzoxaphosphinine 6-oxide
SMILESO=P1([O-])Oc2ccccc2-c2ccccc21.[NH4+]
InChIInChI=1S/C12H9O3P.H3N/c13-16(14)12-8-4-2-6-10(12)9-5-1-3-7-11(9)15-16;/h1-8H,(H,13,14);1H3
InChIKeyFORCJXJZKYDZKO-UHFFFAOYSA-N
MW249.21 g/mol
LogP2.30
Rot. Bonds

About azanium 6-oxidobenzo[c][2,1]benzoxaphosphinine 6-oxide

azanium 6-oxidobenzo[c][2,1]benzoxaphosphinine 6-oxide (PubChem CID 164511629) has the molecular formula C12H12NO3P and a molecular weight of 249.21 g/mol. Its IUPAC name is azanium 6-oxidobenzo[c][2,1]benzoxaphosphinine 6-oxide.

Molecular Properties

Compound Nameazanium 6-oxidobenzo[c][2,1]benzoxaphosphinine 6-oxide
PubChem CID164511629
Molecular FormulaC12H12NO3P
Molecular Weight249.21 g/mol
Exact Mass249.06
IUPAC Nameazanium 6-oxidobenzo[c][2,1]benzoxaphosphinine 6-oxide
SMILESO=P1([O-])Oc2ccccc2-c2ccccc21.[NH4+]
InChIInChI=1S/C12H9O3P.H3N/c13-16(14)12-8-4-2-6-10(12)9-5-1-3-7-11(9)15-16;/h1-8H,(H,13,14);1H3
InChIKeyFORCJXJZKYDZKO-UHFFFAOYSA-N
XLogP2.30
TPSA85.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.21
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of azanium 6-oxidobenzo[c][2,1]benzoxaphosphinine 6-oxide?
The IUPAC name of azanium 6-oxidobenzo[c][2,1]benzoxaphosphinine 6-oxide (CID 164511629) is azanium 6-oxidobenzo[c][2,1]benzoxaphosphinine 6-oxide.
What is the SMILES notation for azanium 6-oxidobenzo[c][2,1]benzoxaphosphinine 6-oxide?
The canonical SMILES for azanium 6-oxidobenzo[c][2,1]benzoxaphosphinine 6-oxide is O=P1([O-])Oc2ccccc2-c2ccccc21.[NH4+].
What is the InChIKey of azanium 6-oxidobenzo[c][2,1]benzoxaphosphinine 6-oxide?
The InChIKey is FORCJXJZKYDZKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9O3P.H3N/c13-16(14)12-8-4-2-6-10(12)9-5-1-3-7-11(9)15-16;/h1-8H,(H,13,14);1H3.
What are the key properties of azanium 6-oxidobenzo[c][2,1]benzoxaphosphinine 6-oxide?
azanium 6-oxidobenzo[c][2,1]benzoxaphosphinine 6-oxide has a molecular weight of 249.21 g/mol, XLogP of 2.30, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for azanium 6-oxidobenzo[c][2,1]benzoxaphosphinine 6-oxide is sourced from PubChem (CID 164511629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).