sodium 2,7-dibromo-9H-fluoren-9-ide

C13H7Br2Na — CID 162767224

IUPACsodium 2,7-dibromo-9H-fluoren-9-ide
SMILESBrc1ccc2c(c1)[cH-]c1cc(Br)ccc12.[Na+]
InChIInChI=1S/C13H7Br2.Na/c14-10-1-3-12-8(6-10)5-9-7-11(15)2-4-13(9)12;/h1-7H;/q-1;+1
InChIKeyIHZDAFSCANGPSI-UHFFFAOYSA-N
MW346.00 g/mol
LogP2.24
Rot. Bonds

About sodium 2,7-dibromo-9H-fluoren-9-ide

sodium 2,7-dibromo-9H-fluoren-9-ide (PubChem CID 162767224) has the molecular formula C13H7Br2Na and a molecular weight of 346.00 g/mol. Its IUPAC name is sodium 2,7-dibromo-9H-fluoren-9-ide.

Molecular Properties

Compound Namesodium 2,7-dibromo-9H-fluoren-9-ide
PubChem CID162767224
Molecular FormulaC13H7Br2Na
Molecular Weight346.00 g/mol
Exact Mass343.88
IUPAC Namesodium 2,7-dibromo-9H-fluoren-9-ide
SMILESBrc1ccc2c(c1)[cH-]c1cc(Br)ccc12.[Na+]
InChIInChI=1S/C13H7Br2.Na/c14-10-1-3-12-8(6-10)5-9-7-11(15)2-4-13(9)12;/h1-7H;/q-1;+1
InChIKeyIHZDAFSCANGPSI-UHFFFAOYSA-N
XLogP2.24
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.00
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of sodium 2,7-dibromo-9H-fluoren-9-ide?
The IUPAC name of sodium 2,7-dibromo-9H-fluoren-9-ide (CID 162767224) is sodium 2,7-dibromo-9H-fluoren-9-ide.
What is the SMILES notation for sodium 2,7-dibromo-9H-fluoren-9-ide?
The canonical SMILES for sodium 2,7-dibromo-9H-fluoren-9-ide is Brc1ccc2c(c1)[cH-]c1cc(Br)ccc12.[Na+].
What is the InChIKey of sodium 2,7-dibromo-9H-fluoren-9-ide?
The InChIKey is IHZDAFSCANGPSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7Br2.Na/c14-10-1-3-12-8(6-10)5-9-7-11(15)2-4-13(9)12;/h1-7H;/q-1;+1.
What are the key properties of sodium 2,7-dibromo-9H-fluoren-9-ide?
sodium 2,7-dibromo-9H-fluoren-9-ide has a molecular weight of 346.00 g/mol, XLogP of 2.24, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 2,7-dibromo-9H-fluoren-9-ide is sourced from PubChem (CID 162767224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).