disodium;[(4-chlorophenoxy)-hydroxyphosphoryl]formic acid;hydride

C7H8ClNa2O5P — CID 173417372

IUPACdisodium;[(4-chlorophenoxy)-hydroxyphosphoryl]formic acid;hydride
SMILESO=C(O)P(=O)(O)Oc1ccc(Cl)cc1.[H-].[H-].[Na+].[Na+]
InChIInChI=1S/C7H6ClO5P.2Na.2H/c8-5-1-3-6(4-2-5)13-14(11,12)7(9)10;;;;/h1-4H,(H,9,10)(H,11,12);;;;/q;2*+1;2*-1
InChIKeyCEEIMNCJFCFHRJ-UHFFFAOYSA-N
MW284.54 g/mol
LogP-3.18
Rot. Bonds3

About disodium;[(4-chlorophenoxy)-hydroxyphosphoryl]formic acid;hydride

disodium;[(4-chlorophenoxy)-hydroxyphosphoryl]formic acid;hydride (PubChem CID 173417372) has the molecular formula C7H8ClNa2O5P and a molecular weight of 284.54 g/mol. Its IUPAC name is disodium;[(4-chlorophenoxy)-hydroxyphosphoryl]formic acid;hydride.

Molecular Properties

Compound Namedisodium;[(4-chlorophenoxy)-hydroxyphosphoryl]formic acid;hydride
PubChem CID173417372
Molecular FormulaC7H8ClNa2O5P
Molecular Weight284.54 g/mol
Exact Mass283.96
IUPAC Namedisodium;[(4-chlorophenoxy)-hydroxyphosphoryl]formic acid;hydride
SMILESO=C(O)P(=O)(O)Oc1ccc(Cl)cc1.[H-].[H-].[Na+].[Na+]
InChIInChI=1S/C7H6ClO5P.2Na.2H/c8-5-1-3-6(4-2-5)13-14(11,12)7(9)10;;;;/h1-4H,(H,9,10)(H,11,12);;;;/q;2*+1;2*-1
InChIKeyCEEIMNCJFCFHRJ-UHFFFAOYSA-N
XLogP-3.18
TPSA83.83 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.54
LogP ≤ 5-3.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of disodium;[(4-chlorophenoxy)-hydroxyphosphoryl]formic acid;hydride?
The IUPAC name of disodium;[(4-chlorophenoxy)-hydroxyphosphoryl]formic acid;hydride (CID 173417372) is disodium;[(4-chlorophenoxy)-hydroxyphosphoryl]formic acid;hydride.
What is the SMILES notation for disodium;[(4-chlorophenoxy)-hydroxyphosphoryl]formic acid;hydride?
The canonical SMILES for disodium;[(4-chlorophenoxy)-hydroxyphosphoryl]formic acid;hydride is O=C(O)P(=O)(O)Oc1ccc(Cl)cc1.[H-].[H-].[Na+].[Na+].
What is the InChIKey of disodium;[(4-chlorophenoxy)-hydroxyphosphoryl]formic acid;hydride?
The InChIKey is CEEIMNCJFCFHRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6ClO5P.2Na.2H/c8-5-1-3-6(4-2-5)13-14(11,12)7(9)10;;;;/h1-4H,(H,9,10)(H,11,12);;;;/q;2*+1;2*-1.
What are the key properties of disodium;[(4-chlorophenoxy)-hydroxyphosphoryl]formic acid;hydride?
disodium;[(4-chlorophenoxy)-hydroxyphosphoryl]formic acid;hydride has a molecular weight of 284.54 g/mol, XLogP of -3.18, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for disodium;[(4-chlorophenoxy)-hydroxyphosphoryl]formic acid;hydride is sourced from PubChem (CID 173417372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).