(2,6-dichloro-4-nitrophenyl) hydrogen phosphate

C6H3Cl2NO6P- — CID 4205027

IUPAC(2,6-dichloro-4-nitrophenyl) hydrogen phosphate
SMILESO=[N+]([O-])c1cc(Cl)c(OP(=O)([O-])O)c(Cl)c1
InChIInChI=1S/C6H4Cl2NO6P/c7-4-1-3(9(10)11)2-5(8)6(4)15-16(12,13)14/h1-2H,(H2,12,13,14)/p-1
InChIKeyOBFPUWKJCNIVNM-UHFFFAOYSA-M
MW286.97 g/mol
LogP1.74
Rot. Bonds3

About (2,6-dichloro-4-nitrophenyl) hydrogen phosphate

(2,6-dichloro-4-nitrophenyl) hydrogen phosphate (PubChem CID 4205027) has the molecular formula C6H3Cl2NO6P- and a molecular weight of 286.97 g/mol. Its IUPAC name is (2,6-dichloro-4-nitrophenyl) hydrogen phosphate.

Molecular Properties

Compound Name(2,6-dichloro-4-nitrophenyl) hydrogen phosphate
PubChem CID4205027
Molecular FormulaC6H3Cl2NO6P-
Molecular Weight286.97 g/mol
Exact Mass285.91
IUPAC Name(2,6-dichloro-4-nitrophenyl) hydrogen phosphate
SMILESO=[N+]([O-])c1cc(Cl)c(OP(=O)([O-])O)c(Cl)c1
InChIInChI=1S/C6H4Cl2NO6P/c7-4-1-3(9(10)11)2-5(8)6(4)15-16(12,13)14/h1-2H,(H2,12,13,14)/p-1
InChIKeyOBFPUWKJCNIVNM-UHFFFAOYSA-M
XLogP1.74
TPSA112.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.97
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

(2,6-dichloro-4-nitrophenyl) dihydrogen phosphate
CID 3082633
(2,6-dichloro-4-nitrophenyl) acetate
CID 53440733
bis(2-chloro-4-nitrophenyl) hydrogen phosphate
CID 141057226
(4-nitrophenyl) hydrogen phosphate;silver
CID 173436602
2,3,5-trichloro-6-(2,6-dichloro-4-nitrophenoxy)pyridine
CID 102749646
4-(2,6-dichloro-4-nitrophenoxy)aniline
CID 106891919
1-(2,6-dichloro-4-nitrophenoxy)propan-2-ol
CID 65278078
2-chloro-4-(2,6-dichloro-4-nitrophenoxy)-5-methylpyridine
CID 83269017
sodium 2,6-dichloro-4-nitrophenolate
CID 12589660
1-chloro-3-ethoxy-2-methoxy-5-nitrobenzene
CID 125116075
(3-chloro-5-nitrophenyl)phosphonic acid
CID 134986189
1-chloro-3-nitronaphthalene
CID 13462997

Frequently Asked Questions

What is the IUPAC name of (2,6-dichloro-4-nitrophenyl) hydrogen phosphate?
The IUPAC name of (2,6-dichloro-4-nitrophenyl) hydrogen phosphate (CID 4205027) is (2,6-dichloro-4-nitrophenyl) hydrogen phosphate.
What is the SMILES notation for (2,6-dichloro-4-nitrophenyl) hydrogen phosphate?
The canonical SMILES for (2,6-dichloro-4-nitrophenyl) hydrogen phosphate is O=[N+]([O-])c1cc(Cl)c(OP(=O)([O-])O)c(Cl)c1.
What is the InChIKey of (2,6-dichloro-4-nitrophenyl) hydrogen phosphate?
The InChIKey is OBFPUWKJCNIVNM-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H4Cl2NO6P/c7-4-1-3(9(10)11)2-5(8)6(4)15-16(12,13)14/h1-2H,(H2,12,13,14)/p-1.
What are the key properties of (2,6-dichloro-4-nitrophenyl) hydrogen phosphate?
(2,6-dichloro-4-nitrophenyl) hydrogen phosphate has a molecular weight of 286.97 g/mol, XLogP of 1.74, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-dichloro-4-nitrophenyl) hydrogen phosphate is sourced from PubChem (CID 4205027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).