(4-aminophenyl) hydrogen phosphate

C6H7NO4P- — CID 171149328

IUPAC(4-aminophenyl) hydrogen phosphate
SMILESNc1ccc(OP(=O)([O-])O)cc1
InChIInChI=1S/C6H8NO4P/c7-5-1-3-6(4-2-5)11-12(8,9)10/h1-4H,7H2,(H2,8,9,10)/p-1
InChIKeyFXZCCINCKDATPA-UHFFFAOYSA-M
MW188.10 g/mol
LogP0.11
Rot. Bonds2

About (4-aminophenyl) hydrogen phosphate

(4-aminophenyl) hydrogen phosphate (PubChem CID 171149328) has the molecular formula C6H7NO4P- and a molecular weight of 188.10 g/mol. Its IUPAC name is (4-aminophenyl) hydrogen phosphate.

Molecular Properties

Compound Name(4-aminophenyl) hydrogen phosphate
PubChem CID171149328
Molecular FormulaC6H7NO4P-
Molecular Weight188.10 g/mol
Exact Mass188.01
IUPAC Name(4-aminophenyl) hydrogen phosphate
SMILESNc1ccc(OP(=O)([O-])O)cc1
InChIInChI=1S/C6H8NO4P/c7-5-1-3-6(4-2-5)11-12(8,9)10/h1-4H,7H2,(H2,8,9,10)/p-1
InChIKeyFXZCCINCKDATPA-UHFFFAOYSA-M
XLogP0.11
TPSA95.61 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.10
LogP ≤ 50.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4-aminophenyl) hydrogen phosphate?
The IUPAC name of (4-aminophenyl) hydrogen phosphate (CID 171149328) is (4-aminophenyl) hydrogen phosphate.
What is the SMILES notation for (4-aminophenyl) hydrogen phosphate?
The canonical SMILES for (4-aminophenyl) hydrogen phosphate is Nc1ccc(OP(=O)([O-])O)cc1.
What is the InChIKey of (4-aminophenyl) hydrogen phosphate?
The InChIKey is FXZCCINCKDATPA-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H8NO4P/c7-5-1-3-6(4-2-5)11-12(8,9)10/h1-4H,7H2,(H2,8,9,10)/p-1.
What are the key properties of (4-aminophenyl) hydrogen phosphate?
(4-aminophenyl) hydrogen phosphate has a molecular weight of 188.10 g/mol, XLogP of 0.11, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-aminophenyl) hydrogen phosphate is sourced from PubChem (CID 171149328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).