amino (2,6-dichlorophenyl) hydrogen phosphate

C6H6Cl2NO4P — CID 91280240

IUPACamino (2,6-dichlorophenyl) hydrogen phosphate
SMILESNOP(=O)(O)Oc1c(Cl)cccc1Cl
InChIInChI=1S/C6H6Cl2NO4P/c7-4-2-1-3-5(8)6(4)12-14(10,11)13-9/h1-3H,9H2,(H,10,11)
InChIKeyOFZAXJHLBBONJW-UHFFFAOYSA-N
MW258.00 g/mol
LogP2.36
Rot. Bonds3

About amino (2,6-dichlorophenyl) hydrogen phosphate

amino (2,6-dichlorophenyl) hydrogen phosphate (PubChem CID 91280240) has the molecular formula C6H6Cl2NO4P and a molecular weight of 258.00 g/mol. Its IUPAC name is amino (2,6-dichlorophenyl) hydrogen phosphate.

Molecular Properties

Compound Nameamino (2,6-dichlorophenyl) hydrogen phosphate
PubChem CID91280240
Molecular FormulaC6H6Cl2NO4P
Molecular Weight258.00 g/mol
Exact Mass256.94
IUPAC Nameamino (2,6-dichlorophenyl) hydrogen phosphate
SMILESNOP(=O)(O)Oc1c(Cl)cccc1Cl
InChIInChI=1S/C6H6Cl2NO4P/c7-4-2-1-3-5(8)6(4)12-14(10,11)13-9/h1-3H,9H2,(H,10,11)
InChIKeyOFZAXJHLBBONJW-UHFFFAOYSA-N
XLogP2.36
TPSA81.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.00
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of amino (2,6-dichlorophenyl) hydrogen phosphate?
The IUPAC name of amino (2,6-dichlorophenyl) hydrogen phosphate (CID 91280240) is amino (2,6-dichlorophenyl) hydrogen phosphate.
What is the SMILES notation for amino (2,6-dichlorophenyl) hydrogen phosphate?
The canonical SMILES for amino (2,6-dichlorophenyl) hydrogen phosphate is NOP(=O)(O)Oc1c(Cl)cccc1Cl.
What is the InChIKey of amino (2,6-dichlorophenyl) hydrogen phosphate?
The InChIKey is OFZAXJHLBBONJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6Cl2NO4P/c7-4-2-1-3-5(8)6(4)12-14(10,11)13-9/h1-3H,9H2,(H,10,11).
What are the key properties of amino (2,6-dichlorophenyl) hydrogen phosphate?
amino (2,6-dichlorophenyl) hydrogen phosphate has a molecular weight of 258.00 g/mol, XLogP of 2.36, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for amino (2,6-dichlorophenyl) hydrogen phosphate is sourced from PubChem (CID 91280240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).