2-bromo-1,6-dihydroinden-6-ylium

C9H6Br+ — CID 140819185

IUPAC2-bromo-1,6-dihydroinden-6-ylium
SMILESBrC1=CC2=C(C=[C+]C=C2)C1
InChIInChI=1S/C9H6Br/c10-9-5-7-3-1-2-4-8(7)6-9/h1,3-5H,6H2/q+1
InChIKeyULOPQDCDHKZNSI-UHFFFAOYSA-N
MW194.05 g/mol
LogP2.89
Rot. Bonds

About 2-bromo-1,6-dihydroinden-6-ylium

2-bromo-1,6-dihydroinden-6-ylium (PubChem CID 140819185) has the molecular formula C9H6Br+ and a molecular weight of 194.05 g/mol. Its IUPAC name is 2-bromo-1,6-dihydroinden-6-ylium.

Molecular Properties

Compound Name2-bromo-1,6-dihydroinden-6-ylium
PubChem CID140819185
Molecular FormulaC9H6Br+
Molecular Weight194.05 g/mol
Exact Mass192.96
IUPAC Name2-bromo-1,6-dihydroinden-6-ylium
SMILESBrC1=CC2=C(C=[C+]C=C2)C1
InChIInChI=1S/C9H6Br/c10-9-5-7-3-1-2-4-8(7)6-9/h1,3-5H,6H2/q+1
InChIKeyULOPQDCDHKZNSI-UHFFFAOYSA-N
XLogP2.89
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.05
LogP ≤ 52.89
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 2-bromo-1,6-dihydroinden-6-ylium?
The IUPAC name of 2-bromo-1,6-dihydroinden-6-ylium (CID 140819185) is 2-bromo-1,6-dihydroinden-6-ylium.
What is the SMILES notation for 2-bromo-1,6-dihydroinden-6-ylium?
The canonical SMILES for 2-bromo-1,6-dihydroinden-6-ylium is BrC1=CC2=C(C=[C+]C=C2)C1.
What is the InChIKey of 2-bromo-1,6-dihydroinden-6-ylium?
The InChIKey is ULOPQDCDHKZNSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6Br/c10-9-5-7-3-1-2-4-8(7)6-9/h1,3-5H,6H2/q+1.
What are the key properties of 2-bromo-1,6-dihydroinden-6-ylium?
2-bromo-1,6-dihydroinden-6-ylium has a molecular weight of 194.05 g/mol, XLogP of 2.89, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-1,6-dihydroinden-6-ylium is sourced from PubChem (CID 140819185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).