Sodium;hydride;2,3,4,5,6-pentabromophenol

C₆H₂Br₅NaO — CID 173454659

About Sodium;hydride;2,3,4,5,6-pentabromophenol

Sodium;hydride;2,3,4,5,6-pentabromophenol (PubChem CID 173454659) has the molecular formula C₆H₂Br₅NaO and a molecular weight of 512.59 g/mol. Its IUPAC name is sodium;hydride;2,3,4,5,6-pentabromophenol.

Molecular Properties

• Compound Name: Sodium;hydride;2,3,4,5,6-pentabromophenol
• PubChem CID: 173454659
• Molecular Formula: C₆H₂Br₅NaO
• Molecular Weight: 512.59 g/mol
• Exact Mass: 507.59
• IUPAC Name: sodium;hydride;2,3,4,5,6-pentabromophenol
• SMILES: Oc1c(Br)c(Br)c(Br)c(Br)c1Br.[H-].[Na+]
• InChI: InChI=1S/C6HBr5O.Na.H/c7-1-2(8)4(10)6(12)5(11)3(1)9;;/h12H;;/q;+1;-1
• InChIKey: XOHLAFNMZVKFGX-UHFFFAOYSA-N
• XLogP: 2.32
• TPSA: 20.23 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 1
• Heavy Atoms: 13
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	512.59
LogP ≤ 5	2.32
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of Sodium;hydride;2,3,4,5,6-pentabromophenol?

The IUPAC name of Sodium;hydride;2,3,4,5,6-pentabromophenol (CID 173454659) is sodium;hydride;2,3,4,5,6-pentabromophenol.

What is the SMILES notation for Sodium;hydride;2,3,4,5,6-pentabromophenol?

The canonical SMILES for Sodium;hydride;2,3,4,5,6-pentabromophenol is Oc1c(Br)c(Br)c(Br)c(Br)c1Br.[H-].[Na+].

What is the InChIKey of Sodium;hydride;2,3,4,5,6-pentabromophenol?

The InChIKey is XOHLAFNMZVKFGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6HBr5O.Na.H/c7-1-2(8)4(10)6(12)5(11)3(1)9;;/h12H;;/q;+1;-1.

What are the key properties of Sodium;hydride;2,3,4,5,6-pentabromophenol?

Sodium;hydride;2,3,4,5,6-pentabromophenol has a molecular weight of 512.59 g/mol, XLogP of 2.32, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for Sodium;hydride;2,3,4,5,6-pentabromophenol is sourced from PubChem (CID 173454659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 173454659 — identifiers, structure, computed properties (public domain)

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