cesium phenyl hydrogen phosphate

C6H6CsO4P — CID 175568082

IUPACcesium phenyl hydrogen phosphate
SMILESO=P([O-])(O)Oc1ccccc1.[Cs+]
InChIInChI=1S/C6H7O4P.Cs/c7-11(8,9)10-6-4-2-1-3-5-6;/h1-5H,(H2,7,8,9);/q;+1/p-1
InChIKeyHUVNLTGFLSMKPB-UHFFFAOYSA-M
MW305.99 g/mol
LogP-2.47
Rot. Bonds2

About cesium phenyl hydrogen phosphate

cesium phenyl hydrogen phosphate (PubChem CID 175568082) has the molecular formula C6H6CsO4P and a molecular weight of 305.99 g/mol. Its IUPAC name is cesium phenyl hydrogen phosphate.

Molecular Properties

Compound Namecesium phenyl hydrogen phosphate
PubChem CID175568082
Molecular FormulaC6H6CsO4P
Molecular Weight305.99 g/mol
Exact Mass305.91
IUPAC Namecesium phenyl hydrogen phosphate
SMILESO=P([O-])(O)Oc1ccccc1.[Cs+]
InChIInChI=1S/C6H7O4P.Cs/c7-11(8,9)10-6-4-2-1-3-5-6;/h1-5H,(H2,7,8,9);/q;+1/p-1
InChIKeyHUVNLTGFLSMKPB-UHFFFAOYSA-M
XLogP-2.47
TPSA69.59 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.99
LogP ≤ 5-2.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

CID 131875092
CID 131875092
cesium diphenyl phosphate
CID 23664598
disodium;phenyl phosphate
CID 2724225
tetrasodium phenyl phosphate
CID 172856118
tris(diphenyl hydrogen phosphate);phosphane
CID 172751224
diphenyl hydrogen phosphate;silane
CID 175425543
potassium diphenyl phosphate
CID 23671717
diphenyl hydrogen phosphate;dihydrate
CID 21115845
phenyl dihydrogen phosphate;2-phosphonoethylphosphonic acid
CID 158952926
(4-aminophenyl) hydrogen phosphate
CID 171149328
chloro(phenoxy)phosphinate
CID 71354399
[hydroxy(phenoxy)phosphoryl]oxidanium
CID 102269872

Frequently Asked Questions

What is the IUPAC name of cesium phenyl hydrogen phosphate?
The IUPAC name of cesium phenyl hydrogen phosphate (CID 175568082) is cesium phenyl hydrogen phosphate.
What is the SMILES notation for cesium phenyl hydrogen phosphate?
The canonical SMILES for cesium phenyl hydrogen phosphate is O=P([O-])(O)Oc1ccccc1.[Cs+].
What is the InChIKey of cesium phenyl hydrogen phosphate?
The InChIKey is HUVNLTGFLSMKPB-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H7O4P.Cs/c7-11(8,9)10-6-4-2-1-3-5-6;/h1-5H,(H2,7,8,9);/q;+1/p-1.
What are the key properties of cesium phenyl hydrogen phosphate?
cesium phenyl hydrogen phosphate has a molecular weight of 305.99 g/mol, XLogP of -2.47, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cesium phenyl hydrogen phosphate is sourced from PubChem (CID 175568082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).