chloromethane;diphospho phosphate;mercury

CH3ClHgO8P3- — CID 161162009

IUPACchloromethane;diphospho phosphate;mercury
SMILESCCl.O=[P+]([O-])OP(=O)([O-])O[P+](=O)[O-].[Hg]
InChIInChI=1S/CH3Cl.Hg.HO8P3/c1-2;;1-9(2)7-11(5,6)8-10(3)4/h1H3;;(H,5,6)/p-1
InChIKeyNDASQKIWLMPIDW-UHFFFAOYSA-M
MW471.99 g/mol
LogP-0.62
Rot. Bonds4

About chloromethane;diphospho phosphate;mercury

chloromethane;diphospho phosphate;mercury (PubChem CID 161162009) has the molecular formula CH3ClHgO8P3- and a molecular weight of 471.99 g/mol. Its IUPAC name is chloromethane;diphospho phosphate;mercury.

Molecular Properties

Compound Namechloromethane;diphospho phosphate;mercury
PubChem CID161162009
Molecular FormulaCH3ClHgO8P3-
Molecular Weight471.99 g/mol
Exact Mass472.84
IUPAC Namechloromethane;diphospho phosphate;mercury
SMILESCCl.O=[P+]([O-])OP(=O)([O-])O[P+](=O)[O-].[Hg]
InChIInChI=1S/CH3Cl.Hg.HO8P3/c1-2;;1-9(2)7-11(5,6)8-10(3)4/h1H3;;(H,5,6)/p-1
InChIKeyNDASQKIWLMPIDW-UHFFFAOYSA-M
XLogP-0.62
TPSA138.85 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.99
LogP ≤ 5-0.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of chloromethane;diphospho phosphate;mercury?
The IUPAC name of chloromethane;diphospho phosphate;mercury (CID 161162009) is chloromethane;diphospho phosphate;mercury.
What is the SMILES notation for chloromethane;diphospho phosphate;mercury?
The canonical SMILES for chloromethane;diphospho phosphate;mercury is CCl.O=[P+]([O-])OP(=O)([O-])O[P+](=O)[O-].[Hg].
What is the InChIKey of chloromethane;diphospho phosphate;mercury?
The InChIKey is NDASQKIWLMPIDW-UHFFFAOYSA-M. The full InChI is InChI=1S/CH3Cl.Hg.HO8P3/c1-2;;1-9(2)7-11(5,6)8-10(3)4/h1H3;;(H,5,6)/p-1.
What are the key properties of chloromethane;diphospho phosphate;mercury?
chloromethane;diphospho phosphate;mercury has a molecular weight of 471.99 g/mol, XLogP of -0.62, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for chloromethane;diphospho phosphate;mercury is sourced from PubChem (CID 161162009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).