sodium;hydride;1,2,3,4,5-pentachloro-6-hydroperoxybenzene

C6H2Cl5NaO2 — CID 175181919

IUPACsodium;hydride;1,2,3,4,5-pentachloro-6-hydroperoxybenzene
SMILESOOc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl.[H-].[Na+]
InChIInChI=1S/C6HCl5O2.Na.H/c7-1-2(8)4(10)6(13-12)5(11)3(1)9;;/h12H;;/q;+1;-1
InChIKeyUJERJLJLAHHSIX-UHFFFAOYSA-N
MW306.34 g/mol
LogP1.92
Rot. Bonds1

About sodium;hydride;1,2,3,4,5-pentachloro-6-hydroperoxybenzene

sodium;hydride;1,2,3,4,5-pentachloro-6-hydroperoxybenzene (PubChem CID 175181919) has the molecular formula C6H2Cl5NaO2 and a molecular weight of 306.34 g/mol. Its IUPAC name is sodium;hydride;1,2,3,4,5-pentachloro-6-hydroperoxybenzene.

Molecular Properties

Compound Namesodium;hydride;1,2,3,4,5-pentachloro-6-hydroperoxybenzene
PubChem CID175181919
Molecular FormulaC6H2Cl5NaO2
Molecular Weight306.34 g/mol
Exact Mass303.84
IUPAC Namesodium;hydride;1,2,3,4,5-pentachloro-6-hydroperoxybenzene
SMILESOOc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl.[H-].[Na+]
InChIInChI=1S/C6HCl5O2.Na.H/c7-1-2(8)4(10)6(13-12)5(11)3(1)9;;/h12H;;/q;+1;-1
InChIKeyUJERJLJLAHHSIX-UHFFFAOYSA-N
XLogP1.92
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.34
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of sodium;hydride;1,2,3,4,5-pentachloro-6-hydroperoxybenzene?
The IUPAC name of sodium;hydride;1,2,3,4,5-pentachloro-6-hydroperoxybenzene (CID 175181919) is sodium;hydride;1,2,3,4,5-pentachloro-6-hydroperoxybenzene.
What is the SMILES notation for sodium;hydride;1,2,3,4,5-pentachloro-6-hydroperoxybenzene?
The canonical SMILES for sodium;hydride;1,2,3,4,5-pentachloro-6-hydroperoxybenzene is OOc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl.[H-].[Na+].
What is the InChIKey of sodium;hydride;1,2,3,4,5-pentachloro-6-hydroperoxybenzene?
The InChIKey is UJERJLJLAHHSIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6HCl5O2.Na.H/c7-1-2(8)4(10)6(13-12)5(11)3(1)9;;/h12H;;/q;+1;-1.
What are the key properties of sodium;hydride;1,2,3,4,5-pentachloro-6-hydroperoxybenzene?
sodium;hydride;1,2,3,4,5-pentachloro-6-hydroperoxybenzene has a molecular weight of 306.34 g/mol, XLogP of 1.92, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;hydride;1,2,3,4,5-pentachloro-6-hydroperoxybenzene is sourced from PubChem (CID 175181919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).