chloro(phenoxy)phosphinate

C6H5ClO3P- — CID 71354399

IUPACchloro(phenoxy)phosphinate
SMILESO=P([O-])(Cl)Oc1ccccc1
InChIInChI=1S/C6H6ClO3P/c7-11(8,9)10-6-4-2-1-3-5-6/h1-5H,(H,8,9)/p-1
InChIKeyWWDMDHUOYPEXQH-UHFFFAOYSA-M
MW191.53 g/mol
LogP1.77
Rot. Bonds2

About chloro(phenoxy)phosphinate

chloro(phenoxy)phosphinate (PubChem CID 71354399) has the molecular formula C6H5ClO3P- and a molecular weight of 191.53 g/mol. Its IUPAC name is chloro(phenoxy)phosphinate.

Molecular Properties

Compound Namechloro(phenoxy)phosphinate
PubChem CID71354399
Molecular FormulaC6H5ClO3P-
Molecular Weight191.53 g/mol
Exact Mass190.97
IUPAC Namechloro(phenoxy)phosphinate
SMILESO=P([O-])(Cl)Oc1ccccc1
InChIInChI=1S/C6H6ClO3P/c7-11(8,9)10-6-4-2-1-3-5-6/h1-5H,(H,8,9)/p-1
InChIKeyWWDMDHUOYPEXQH-UHFFFAOYSA-M
XLogP1.77
TPSA49.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.53
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

disodium;phenyl phosphate
CID 2724225
tetrasodium phenyl phosphate
CID 172856118
argon;[chloro(phenoxy)phosphoryl]oxybenzene
CID 159408422
potassium diphenyl phosphate
CID 23671717
cesium diphenyl phosphate
CID 23664598
cobalt(2+);methyl(phenoxy)phosphinate
CID 140813109
cesium phenyl hydrogen phosphate
CID 175568082
(4-chlorophenyl) phenyl phosphate
CID 71363636
sodium phenoxy(phenyl)phosphinate
CID 161254659
triphenyl phosphate;hydrate
CID 66881958
bis(4-diphenoxyphosphoryloxyphenyl) phenyl phosphate
CID 58066863
zinc ethyl(phenoxy)phosphinate
CID 118975861

Frequently Asked Questions

What is the IUPAC name of chloro(phenoxy)phosphinate?
The IUPAC name of chloro(phenoxy)phosphinate (CID 71354399) is chloro(phenoxy)phosphinate.
What is the SMILES notation for chloro(phenoxy)phosphinate?
The canonical SMILES for chloro(phenoxy)phosphinate is O=P([O-])(Cl)Oc1ccccc1.
What is the InChIKey of chloro(phenoxy)phosphinate?
The InChIKey is WWDMDHUOYPEXQH-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H6ClO3P/c7-11(8,9)10-6-4-2-1-3-5-6/h1-5H,(H,8,9)/p-1.
What are the key properties of chloro(phenoxy)phosphinate?
chloro(phenoxy)phosphinate has a molecular weight of 191.53 g/mol, XLogP of 1.77, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for chloro(phenoxy)phosphinate is sourced from PubChem (CID 71354399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).