bis((2-chlorophenoxy)-[hydroxy(phosphonato)methyl]phosphinate);tris(tin(2+))

C14H12Cl2O14P4Sn3 — CID 173412876

IUPACbis((2-chlorophenoxy)-[hydroxy(phosphonato)methyl]phosphinate);tris(tin(2+))
SMILESO=P([O-])([O-])C(O)P(=O)([O-])Oc1ccccc1Cl.O=P([O-])([O-])C(O)P(=O)([O-])Oc1ccccc1Cl.[Sn+2].[Sn+2].[Sn+2]
InChIInChI=1S/2C7H9ClO7P2.3Sn/c2*8-5-3-1-2-4-6(5)15-17(13,14)7(9)16(10,11)12;;;/h2*1-4,7,9H,(H,13,14)(H2,10,11,12);;;/q;;3*+2/p-6
InChIKeyXEXALXZTOZJSSQ-UHFFFAOYSA-H
MW955.17 g/mol
LogP-2.22
Rot. Bonds8

About bis((2-chlorophenoxy)-[hydroxy(phosphonato)methyl]phosphinate);tris(tin(2+))

bis((2-chlorophenoxy)-[hydroxy(phosphonato)methyl]phosphinate);tris(tin(2+)) (PubChem CID 173412876) has the molecular formula C14H12Cl2O14P4Sn3 and a molecular weight of 955.17 g/mol. Its IUPAC name is bis((2-chlorophenoxy)-[hydroxy(phosphonato)methyl]phosphinate);tris(tin(2+)).

Molecular Properties

Compound Namebis((2-chlorophenoxy)-[hydroxy(phosphonato)methyl]phosphinate);tris(tin(2+))
PubChem CID173412876
Molecular FormulaC14H12Cl2O14P4Sn3
Molecular Weight955.17 g/mol
Exact Mass957.56
IUPAC Namebis((2-chlorophenoxy)-[hydroxy(phosphonato)methyl]phosphinate);tris(tin(2+))
SMILESO=P([O-])([O-])C(O)P(=O)([O-])Oc1ccccc1Cl.O=P([O-])([O-])C(O)P(=O)([O-])Oc1ccccc1Cl.[Sn+2].[Sn+2].[Sn+2]
InChIInChI=1S/2C7H9ClO7P2.3Sn/c2*8-5-3-1-2-4-6(5)15-17(13,14)7(9)16(10,11)12;;;/h2*1-4,7,9H,(H,13,14)(H2,10,11,12);;;/q;;3*+2/p-6
InChIKeyXEXALXZTOZJSSQ-UHFFFAOYSA-H
XLogP-2.22
TPSA265.56 Ų
H-Bond Donors2
H-Bond Acceptors14
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500955.17
LogP ≤ 5-2.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

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

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Related Compounds

(2-chlorophenyl) dihydrogen phosphate dichloride
CID 20976937
(2-chlorophenyl) nitro hydrogen phosphate
CID 139740859
chloro bis(2-chlorophenyl) phosphate
CID 68561656
1-chloro-2-[(2-chlorophenoxy)-phenylphosphoryl]oxybenzene
CID 154177622
(2-chlorophenoxy) dihydrogen phosphate
CID 175260184
2-bis(2-chlorophenoxy)phosphorylacetonitrile
CID 154139597
(2-chlorophenyl) nitrate
CID 141071843
2-(2-chlorophenoxy)propanedioate
CID 19095840
1-chloro-2-methoxybenzene
CID 13011
1-(2-chlorophenoxy)propylphosphonic acid
CID 67896081
(2-chlorophenoxy)-N-(1-ethoxy-1-oxopropan-2-yl)phosphonamidic acid
CID 69010591
1-[(2-chlorophenoxy)-(1,2,4-triazol-1-yl)phosphoryl]-1,2,4-triazole
CID 10946851

Frequently Asked Questions

What is the IUPAC name of bis((2-chlorophenoxy)-[hydroxy(phosphonato)methyl]phosphinate);tris(tin(2+))?
The IUPAC name of bis((2-chlorophenoxy)-[hydroxy(phosphonato)methyl]phosphinate);tris(tin(2+)) (CID 173412876) is bis((2-chlorophenoxy)-[hydroxy(phosphonato)methyl]phosphinate);tris(tin(2+)).
What is the SMILES notation for bis((2-chlorophenoxy)-[hydroxy(phosphonato)methyl]phosphinate);tris(tin(2+))?
The canonical SMILES for bis((2-chlorophenoxy)-[hydroxy(phosphonato)methyl]phosphinate);tris(tin(2+)) is O=P([O-])([O-])C(O)P(=O)([O-])Oc1ccccc1Cl.O=P([O-])([O-])C(O)P(=O)([O-])Oc1ccccc1Cl.[Sn+2].[Sn+2].[Sn+2].
What is the InChIKey of bis((2-chlorophenoxy)-[hydroxy(phosphonato)methyl]phosphinate);tris(tin(2+))?
The InChIKey is XEXALXZTOZJSSQ-UHFFFAOYSA-H. The full InChI is InChI=1S/2C7H9ClO7P2.3Sn/c2*8-5-3-1-2-4-6(5)15-17(13,14)7(9)16(10,11)12;;;/h2*1-4,7,9H,(H,13,14)(H2,10,11,12);;;/q;;3*+2/p-6.
What are the key properties of bis((2-chlorophenoxy)-[hydroxy(phosphonato)methyl]phosphinate);tris(tin(2+))?
bis((2-chlorophenoxy)-[hydroxy(phosphonato)methyl]phosphinate);tris(tin(2+)) has a molecular weight of 955.17 g/mol, XLogP of -2.22, 8 rotatable bonds, 2 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for bis((2-chlorophenoxy)-[hydroxy(phosphonato)methyl]phosphinate);tris(tin(2+)) is sourced from PubChem (CID 173412876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).