chloro bis(4-nitrophenyl) phosphate

C12H8ClN2O8P — CID 141011401

IUPACchloro bis(4-nitrophenyl) phosphate
SMILESO=[N+]([O-])c1ccc(OP(=O)(OCl)Oc2ccc([N+](=O)[O-])cc2)cc1
InChIInChI=1S/C12H8ClN2O8P/c13-23-24(20,21-11-5-1-9(2-6-11)14(16)17)22-12-7-3-10(4-8-12)15(18)19/h1-8H
InChIKeyZVHOIIOLWRDFLK-UHFFFAOYSA-N
MW374.63 g/mol
LogP4.24
Rot. Bonds7

About chloro bis(4-nitrophenyl) phosphate

chloro bis(4-nitrophenyl) phosphate (PubChem CID 141011401) has the molecular formula C12H8ClN2O8P and a molecular weight of 374.63 g/mol. Its IUPAC name is chloro bis(4-nitrophenyl) phosphate.

Molecular Properties

Compound Namechloro bis(4-nitrophenyl) phosphate
PubChem CID141011401
Molecular FormulaC12H8ClN2O8P
Molecular Weight374.63 g/mol
Exact Mass373.97
IUPAC Namechloro bis(4-nitrophenyl) phosphate
SMILESO=[N+]([O-])c1ccc(OP(=O)(OCl)Oc2ccc([N+](=O)[O-])cc2)cc1
InChIInChI=1S/C12H8ClN2O8P/c13-23-24(20,21-11-5-1-9(2-6-11)14(16)17)22-12-7-3-10(4-8-12)15(18)19/h1-8H
InChIKeyZVHOIIOLWRDFLK-UHFFFAOYSA-N
XLogP4.24
TPSA131.04 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.63
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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) phosphate
CID 4686862
chloro-(4-nitrophenoxy)phosphinic acid
CID 54199741
1-[bromo-(4-nitrophenoxy)phosphoryl]oxy-4-nitrobenzene
CID 88777359
azane;(4-nitrophenyl) dihydrogen phosphate
CID 118856328
(4-nitrophenyl) hydrogen phosphate;silver
CID 173436602
methyl (4-nitrophenyl) propan-2-yl phosphate
CID 71452799
(4-nitrophenyl) phenyl propan-2-yl phosphate
CID 11393558
amino (4-nitrophenyl) hydrogen phosphate
CID 69185179
azanium (4-nitrophenyl) phenyl phosphate
CID 132649079
didecyl (4-nitrophenyl) phosphate
CID 71347067
azane;(4-nitrophenyl) phenyl hydrogen phosphate
CID 154734089
1-[ethyl-(4-nitrophenoxy)phosphoryl]oxy-4-methylbenzene
CID 89083365

Frequently Asked Questions

What is the IUPAC name of chloro bis(4-nitrophenyl) phosphate?
The IUPAC name of chloro bis(4-nitrophenyl) phosphate (CID 141011401) is chloro bis(4-nitrophenyl) phosphate.
What is the SMILES notation for chloro bis(4-nitrophenyl) phosphate?
The canonical SMILES for chloro bis(4-nitrophenyl) phosphate is O=[N+]([O-])c1ccc(OP(=O)(OCl)Oc2ccc([N+](=O)[O-])cc2)cc1.
What is the InChIKey of chloro bis(4-nitrophenyl) phosphate?
The InChIKey is ZVHOIIOLWRDFLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8ClN2O8P/c13-23-24(20,21-11-5-1-9(2-6-11)14(16)17)22-12-7-3-10(4-8-12)15(18)19/h1-8H.
What are the key properties of chloro bis(4-nitrophenyl) phosphate?
chloro bis(4-nitrophenyl) phosphate has a molecular weight of 374.63 g/mol, XLogP of 4.24, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for chloro bis(4-nitrophenyl) phosphate is sourced from PubChem (CID 141011401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).