(4-nitrophenyl) phosphate

C6H4NO6P-2 — CID 4686862

IUPAC(4-nitrophenyl) phosphate
SMILESO=[N+]([O-])c1ccc(OP(=O)([O-])[O-])cc1
InChIInChI=1S/C6H6NO6P/c8-7(9)5-1-3-6(4-2-5)13-14(10,11)12/h1-4H,(H2,10,11,12)/p-2
InChIKeyXZKIHKMTEMTJQX-UHFFFAOYSA-L
MW217.07 g/mol
LogP-0.20
Rot. Bonds3

About (4-nitrophenyl) phosphate

(4-nitrophenyl) phosphate (PubChem CID 4686862) has the molecular formula C6H4NO6P-2 and a molecular weight of 217.07 g/mol. Its IUPAC name is (4-nitrophenyl) phosphate.

Molecular Properties

Compound Name(4-nitrophenyl) phosphate
PubChem CID4686862
Molecular FormulaC6H4NO6P-2
Molecular Weight217.07 g/mol
Exact Mass216.98
IUPAC Name(4-nitrophenyl) phosphate
SMILESO=[N+]([O-])c1ccc(OP(=O)([O-])[O-])cc1
InChIInChI=1S/C6H6NO6P/c8-7(9)5-1-3-6(4-2-5)13-14(10,11)12/h1-4H,(H2,10,11,12)/p-2
InChIKeyXZKIHKMTEMTJQX-UHFFFAOYSA-L
XLogP-0.20
TPSA115.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.07
LogP ≤ 5-0.20
H-Bond Donors ≤ 50
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

(4-nitrophenyl) hydrogen phosphate;silver
CID 173436602
1-[bromo-(4-nitrophenoxy)phosphoryl]oxy-4-nitrobenzene
CID 88777359
azane;(4-nitrophenyl) dihydrogen phosphate
CID 118856328
azanium (4-nitrophenyl) phenyl phosphate
CID 132649079
chloro bis(4-nitrophenyl) phosphate
CID 141011401
chloro-(4-nitrophenoxy)phosphinic acid
CID 54199741
amino (4-nitrophenyl) hydrogen phosphate
CID 69185179
CID 153008841
CID 153008841
azane;(4-nitrophenyl) phenyl hydrogen phosphate
CID 154734089
trisodium;(4-nitrophenyl) acetate;phosphate
CID 175833825
sodium (3-tert-butylphenyl) (4-nitrophenyl) phosphate
CID 14886425
1-[ethyl-(4-nitrophenoxy)phosphoryl]oxy-4-methylbenzene
CID 89083365

Frequently Asked Questions

What is the IUPAC name of (4-nitrophenyl) phosphate?
The IUPAC name of (4-nitrophenyl) phosphate (CID 4686862) is (4-nitrophenyl) phosphate.
What is the SMILES notation for (4-nitrophenyl) phosphate?
The canonical SMILES for (4-nitrophenyl) phosphate is O=[N+]([O-])c1ccc(OP(=O)([O-])[O-])cc1.
What is the InChIKey of (4-nitrophenyl) phosphate?
The InChIKey is XZKIHKMTEMTJQX-UHFFFAOYSA-L. The full InChI is InChI=1S/C6H6NO6P/c8-7(9)5-1-3-6(4-2-5)13-14(10,11)12/h1-4H,(H2,10,11,12)/p-2.
What are the key properties of (4-nitrophenyl) phosphate?
(4-nitrophenyl) phosphate has a molecular weight of 217.07 g/mol, XLogP of -0.20, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-nitrophenyl) phosphate is sourced from PubChem (CID 4686862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).