azane;(4-nitrophenyl) phenyl hydrogen phosphate

C12H13N2O6P — CID 154734089

IUPACazane;(4-nitrophenyl) phenyl hydrogen phosphate
SMILESN.O=[N+]([O-])c1ccc(OP(=O)(O)Oc2ccccc2)cc1
InChIInChI=1S/C12H10NO6P.H3N/c14-13(15)10-6-8-12(9-7-10)19-20(16,17)18-11-4-2-1-3-5-11;/h1-9H,(H,16,17);1H3
InChIKeyFPFHQGMVZDLBBX-UHFFFAOYSA-N
MW312.22 g/mol
LogP3.32
Rot. Bonds5

About azane;(4-nitrophenyl) phenyl hydrogen phosphate

azane;(4-nitrophenyl) phenyl hydrogen phosphate (PubChem CID 154734089) has the molecular formula C12H13N2O6P and a molecular weight of 312.22 g/mol. Its IUPAC name is azane;(4-nitrophenyl) phenyl hydrogen phosphate.

Molecular Properties

Compound Nameazane;(4-nitrophenyl) phenyl hydrogen phosphate
PubChem CID154734089
Molecular FormulaC12H13N2O6P
Molecular Weight312.22 g/mol
Exact Mass312.05
IUPAC Nameazane;(4-nitrophenyl) phenyl hydrogen phosphate
SMILESN.O=[N+]([O-])c1ccc(OP(=O)(O)Oc2ccccc2)cc1
InChIInChI=1S/C12H10NO6P.H3N/c14-13(15)10-6-8-12(9-7-10)19-20(16,17)18-11-4-2-1-3-5-11;/h1-9H,(H,16,17);1H3
InChIKeyFPFHQGMVZDLBBX-UHFFFAOYSA-N
XLogP3.32
TPSA133.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.22
LogP ≤ 53.32
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) dihydrogen phosphate
CID 118856328
diphenyl hydrogen phosphate;dihydrate
CID 21115845
amino (4-nitrophenyl) hydrogen phosphate
CID 69185179
azanium (4-nitrophenyl) phenyl phosphate
CID 132649079
(2-chloro-4-nitrophenyl) phenyl hydrogen phosphate
CID 141057225
nitro phenyl hydrogen phosphate;dihydrochloride
CID 67892340
tris(diphenyl hydrogen phosphate);phosphane
CID 172751224
diphenyl hydrogen phosphate;silane
CID 175425543
chloro-(4-nitrophenoxy)phosphinic acid
CID 54199741
(4-nitrophenyl) hydrogen phosphate;silver
CID 173436602
(4-nitrophenyl) phenyl propan-2-yl phosphate
CID 11393558
(4-nitrophenyl) phosphate
CID 4686862

Frequently Asked Questions

What is the IUPAC name of azane;(4-nitrophenyl) phenyl hydrogen phosphate?
The IUPAC name of azane;(4-nitrophenyl) phenyl hydrogen phosphate (CID 154734089) is azane;(4-nitrophenyl) phenyl hydrogen phosphate.
What is the SMILES notation for azane;(4-nitrophenyl) phenyl hydrogen phosphate?
The canonical SMILES for azane;(4-nitrophenyl) phenyl hydrogen phosphate is N.O=[N+]([O-])c1ccc(OP(=O)(O)Oc2ccccc2)cc1.
What is the InChIKey of azane;(4-nitrophenyl) phenyl hydrogen phosphate?
The InChIKey is FPFHQGMVZDLBBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10NO6P.H3N/c14-13(15)10-6-8-12(9-7-10)19-20(16,17)18-11-4-2-1-3-5-11;/h1-9H,(H,16,17);1H3.
What are the key properties of azane;(4-nitrophenyl) phenyl hydrogen phosphate?
azane;(4-nitrophenyl) phenyl hydrogen phosphate has a molecular weight of 312.22 g/mol, XLogP of 3.32, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for azane;(4-nitrophenyl) phenyl hydrogen phosphate is sourced from PubChem (CID 154734089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).