2-phosphonooxybenzenediazonium

C6H6N2O4P+ — CID 101390583

IUPAC2-phosphonooxybenzenediazonium
SMILESN#[N+]c1ccccc1OP(=O)(O)O
InChIInChI=1S/C6H5N2O4P/c7-8-5-3-1-2-4-6(5)12-13(9,10)11/h1-4H,(H-,9,10,11)/p+1
InChIKeyHGAGCFSFJBMLFH-UHFFFAOYSA-O
MW201.10 g/mol
LogP1.64
Rot. Bonds2

About 2-phosphonooxybenzenediazonium

2-phosphonooxybenzenediazonium (PubChem CID 101390583) has the molecular formula C6H6N2O4P+ and a molecular weight of 201.10 g/mol. Its IUPAC name is 2-phosphonooxybenzenediazonium.

Molecular Properties

Compound Name2-phosphonooxybenzenediazonium
PubChem CID101390583
Molecular FormulaC6H6N2O4P+
Molecular Weight201.10 g/mol
Exact Mass201.01
IUPAC Name2-phosphonooxybenzenediazonium
SMILESN#[N+]c1ccccc1OP(=O)(O)O
InChIInChI=1S/C6H5N2O4P/c7-8-5-3-1-2-4-6(5)12-13(9,10)11/h1-4H,(H-,9,10,11)/p+1
InChIKeyHGAGCFSFJBMLFH-UHFFFAOYSA-O
XLogP1.64
TPSA94.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.10
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

lithium;(2-aminophenyl) dihydrogen phosphate;hydride
CID 175194411
(2-chlorophenyl) dihydrogen phosphate dichloride
CID 20976937
(2-sulfamoylphenyl) dihydrogen phosphate
CID 154197376
2-methoxybenzenediazonium chloride
CID 10920957
(2-phenylphenyl) dihydrogen phosphate
CID 19371408
[2-(difluoromethyl)phenyl] dihydrogen phosphate
CID 69493795
1,1'-biphenyl;(2-methylphenyl) dihydrogen phosphate
CID 174514664
(2-fluorosulfonylphenyl) dihydrogen phosphate
CID 175215288
sodium;hydride;2-phosphonooxybenzoic acid
CID 174241105
[2-(N-phenylanilino)phenyl] dihydrogen phosphate
CID 151980927
(2-tritylphenyl) dihydrogen phosphate
CID 69421021
(2,3-diiodophenyl) dihydrogen phosphate
CID 154366629

Frequently Asked Questions

What is the IUPAC name of 2-phosphonooxybenzenediazonium?
The IUPAC name of 2-phosphonooxybenzenediazonium (CID 101390583) is 2-phosphonooxybenzenediazonium.
What is the SMILES notation for 2-phosphonooxybenzenediazonium?
The canonical SMILES for 2-phosphonooxybenzenediazonium is N#[N+]c1ccccc1OP(=O)(O)O.
What is the InChIKey of 2-phosphonooxybenzenediazonium?
The InChIKey is HGAGCFSFJBMLFH-UHFFFAOYSA-O. The full InChI is InChI=1S/C6H5N2O4P/c7-8-5-3-1-2-4-6(5)12-13(9,10)11/h1-4H,(H-,9,10,11)/p+1.
What are the key properties of 2-phosphonooxybenzenediazonium?
2-phosphonooxybenzenediazonium has a molecular weight of 201.10 g/mol, XLogP of 1.64, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phosphonooxybenzenediazonium is sourced from PubChem (CID 101390583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).