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

C6H4Cl2NO6P — CID 3082633

IUPAC(2,6-dichloro-4-nitrophenyl) dihydrogen 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)
InChIKeyOBFPUWKJCNIVNM-UHFFFAOYSA-N
MW287.98 g/mol
LogP2.37
Rot. Bonds3

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

(2,6-dichloro-4-nitrophenyl) dihydrogen phosphate (PubChem CID 3082633) has the molecular formula C6H4Cl2NO6P and a molecular weight of 287.98 g/mol. Its IUPAC name is (2,6-dichloro-4-nitrophenyl) dihydrogen phosphate.

Molecular Properties

Compound Name(2,6-dichloro-4-nitrophenyl) dihydrogen phosphate
PubChem CID3082633
Molecular FormulaC6H4Cl2NO6P
Molecular Weight287.98 g/mol
Exact Mass286.92
IUPAC Name(2,6-dichloro-4-nitrophenyl) dihydrogen 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)
InChIKeyOBFPUWKJCNIVNM-UHFFFAOYSA-N
XLogP2.37
TPSA109.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.98
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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'}

Analyze (2,6-dichloro-4-nitrophenyl) dihydrogen phosphate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2,6-dichloro-4-nitrophenyl) hydrogen phosphate
CID 4205027
(2,6-dichloro-4-nitrophenyl) acetate
CID 53440733
bis(2-chloro-4-nitrophenyl) hydrogen phosphate
CID 141057226
1-(2,6-dichloro-4-nitrophenoxy)propan-2-ol
CID 65278078
azane;(4-nitrophenyl) dihydrogen phosphate
CID 118856328
3-(2,6-dichloro-4-nitrophenoxy)-N'-hydroxypropanimidamide
CID 76935361
sodium 2,6-dichloro-4-nitrophenolate
CID 12589660
(3-chloro-5-nitrophenyl)phosphonic acid
CID 134986189
1-chloro-3-nitronaphthalene
CID 13462997
4-(2,6-dichloro-4-nitrophenoxy)butanehydrazide
CID 63569444
3-chloro-2-(2-methoxyethoxy)-5-nitrobenzoic acid
CID 107186692
4-(2,6-dichloro-4-nitrophenoxy)aniline
CID 106891919

Frequently Asked Questions

What is the IUPAC name of (2,6-dichloro-4-nitrophenyl) dihydrogen phosphate?
The IUPAC name of (2,6-dichloro-4-nitrophenyl) dihydrogen phosphate (CID 3082633) is (2,6-dichloro-4-nitrophenyl) dihydrogen phosphate.
What is the SMILES notation for (2,6-dichloro-4-nitrophenyl) dihydrogen phosphate?
The canonical SMILES for (2,6-dichloro-4-nitrophenyl) dihydrogen 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) dihydrogen phosphate?
The InChIKey is OBFPUWKJCNIVNM-UHFFFAOYSA-N. 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).
What are the key properties of (2,6-dichloro-4-nitrophenyl) dihydrogen phosphate?
(2,6-dichloro-4-nitrophenyl) dihydrogen phosphate has a molecular weight of 287.98 g/mol, XLogP of 2.37, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-dichloro-4-nitrophenyl) dihydrogen phosphate is sourced from PubChem (CID 3082633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).