amino (4-nitrophenyl) hydrogen phosphate

C6H7N2O6P — CID 69185179

IUPACamino (4-nitrophenyl) hydrogen phosphate
SMILESNOP(=O)(O)Oc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C6H7N2O6P/c7-14-15(11,12)13-6-3-1-5(2-4-6)8(9)10/h1-4H,7H2,(H,11,12)
InChIKeyHYESLBLZYMBLCG-UHFFFAOYSA-N
MW234.10 g/mol
LogP0.96
Rot. Bonds4

About amino (4-nitrophenyl) hydrogen phosphate

amino (4-nitrophenyl) hydrogen phosphate (PubChem CID 69185179) has the molecular formula C6H7N2O6P and a molecular weight of 234.10 g/mol. Its IUPAC name is amino (4-nitrophenyl) hydrogen phosphate.

Molecular Properties

Compound Nameamino (4-nitrophenyl) hydrogen phosphate
PubChem CID69185179
Molecular FormulaC6H7N2O6P
Molecular Weight234.10 g/mol
Exact Mass234.00
IUPAC Nameamino (4-nitrophenyl) hydrogen phosphate
SMILESNOP(=O)(O)Oc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C6H7N2O6P/c7-14-15(11,12)13-6-3-1-5(2-4-6)8(9)10/h1-4H,7H2,(H,11,12)
InChIKeyHYESLBLZYMBLCG-UHFFFAOYSA-N
XLogP0.96
TPSA124.92 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.10
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

azane;(4-nitrophenyl) phenyl hydrogen phosphate
CID 154734089
azane;(4-nitrophenyl) dihydrogen phosphate
CID 118856328
(4-nitrophenyl) hydrogen phosphate;silver
CID 173436602
chloro-(4-nitrophenoxy)phosphinic acid
CID 54199741
(4-nitrophenyl) phosphate
CID 4686862
1-[bromo-(4-nitrophenoxy)phosphoryl]oxy-4-nitrobenzene
CID 88777359
bis(2-amino-2-(hydroxymethyl)propane-1,3-diol);(4-nitrophenyl) dihydrogen phosphate;hydrate
CID 91886329
chloro bis(4-nitrophenyl) phosphate
CID 141011401
azanium (1R,2S,3S,4R,5R,6S)-2,3,4,5-tetrahydroxy-6-[hydroxy-(4-nitrophenoxy)phosphoryl]oxycyclohexan-1-olate
CID 170896728
azanium (4-nitrophenyl) phenyl phosphate
CID 132649079
methyl (4-nitrophenyl) propan-2-yl phosphate
CID 71452799
2-hydroxyhexadecyl (4-nitrophenyl) hydrogen phosphate
CID 15851495

Frequently Asked Questions

What is the IUPAC name of amino (4-nitrophenyl) hydrogen phosphate?
The IUPAC name of amino (4-nitrophenyl) hydrogen phosphate (CID 69185179) is amino (4-nitrophenyl) hydrogen phosphate.
What is the SMILES notation for amino (4-nitrophenyl) hydrogen phosphate?
The canonical SMILES for amino (4-nitrophenyl) hydrogen phosphate is NOP(=O)(O)Oc1ccc([N+](=O)[O-])cc1.
What is the InChIKey of amino (4-nitrophenyl) hydrogen phosphate?
The InChIKey is HYESLBLZYMBLCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N2O6P/c7-14-15(11,12)13-6-3-1-5(2-4-6)8(9)10/h1-4H,7H2,(H,11,12).
What are the key properties of amino (4-nitrophenyl) hydrogen phosphate?
amino (4-nitrophenyl) hydrogen phosphate has a molecular weight of 234.10 g/mol, XLogP of 0.96, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for amino (4-nitrophenyl) hydrogen phosphate is sourced from PubChem (CID 69185179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).