[diazo(dimethoxyphosphoryl)methyl]benzene

C9H11N2O3P — CID 4025705

IUPAC[diazo(dimethoxyphosphoryl)methyl]benzene
SMILESCOP(=O)(OC)C(=[N+]=[N-])c1ccccc1
InChIInChI=1S/C9H11N2O3P/c1-13-15(12,14-2)9(11-10)8-6-4-3-5-7-8/h3-7H,1-2H3
InChIKeyBMHFWKUQTVEQTM-UHFFFAOYSA-N
MW226.17 g/mol
LogP2.15
Rot. Bonds4

About [diazo(dimethoxyphosphoryl)methyl]benzene

[diazo(dimethoxyphosphoryl)methyl]benzene (PubChem CID 4025705) has the molecular formula C9H11N2O3P and a molecular weight of 226.17 g/mol. Its IUPAC name is [diazo(dimethoxyphosphoryl)methyl]benzene.

Molecular Properties

Compound Name[diazo(dimethoxyphosphoryl)methyl]benzene
PubChem CID4025705
Molecular FormulaC9H11N2O3P
Molecular Weight226.17 g/mol
Exact Mass226.05
IUPAC Name[diazo(dimethoxyphosphoryl)methyl]benzene
SMILESCOP(=O)(OC)C(=[N+]=[N-])c1ccccc1
InChIInChI=1S/C9H11N2O3P/c1-13-15(12,14-2)9(11-10)8-6-4-3-5-7-8/h3-7H,1-2H3
InChIKeyBMHFWKUQTVEQTM-UHFFFAOYSA-N
XLogP2.15
TPSA71.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.17
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [diazo(dimethoxyphosphoryl)methyl]benzene?
The IUPAC name of [diazo(dimethoxyphosphoryl)methyl]benzene (CID 4025705) is [diazo(dimethoxyphosphoryl)methyl]benzene.
What is the SMILES notation for [diazo(dimethoxyphosphoryl)methyl]benzene?
The canonical SMILES for [diazo(dimethoxyphosphoryl)methyl]benzene is COP(=O)(OC)C(=[N+]=[N-])c1ccccc1.
What is the InChIKey of [diazo(dimethoxyphosphoryl)methyl]benzene?
The InChIKey is BMHFWKUQTVEQTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N2O3P/c1-13-15(12,14-2)9(11-10)8-6-4-3-5-7-8/h3-7H,1-2H3.
What are the key properties of [diazo(dimethoxyphosphoryl)methyl]benzene?
[diazo(dimethoxyphosphoryl)methyl]benzene has a molecular weight of 226.17 g/mol, XLogP of 2.15, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [diazo(dimethoxyphosphoryl)methyl]benzene is sourced from PubChem (CID 4025705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).