9-bromo-9H-fluorene

C13H9Br — CID 16024

IUPAC9-bromo-9H-fluorene
SMILESBrC1c2ccccc2-c2ccccc21
InChIInChI=1S/C13H9Br/c14-13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)13/h1-8,13H
InChIKeyAHCDKANCCBEQJJ-UHFFFAOYSA-N
MW245.12 g/mol
LogP4.15
Rot. Bonds

About 9-bromo-9H-fluorene

9-bromo-9H-fluorene (PubChem CID 16024) has the molecular formula C13H9Br and a molecular weight of 245.12 g/mol. Its IUPAC name is 9-bromo-9H-fluorene.

Molecular Properties

Compound Name9-bromo-9H-fluorene
PubChem CID16024
Molecular FormulaC13H9Br
Molecular Weight245.12 g/mol
Exact Mass243.99
IUPAC Name9-bromo-9H-fluorene
SMILESBrC1c2ccccc2-c2ccccc21
InChIInChI=1S/C13H9Br/c14-13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)13/h1-8,13H
InChIKeyAHCDKANCCBEQJJ-UHFFFAOYSA-N
XLogP4.15
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.12
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 9-bromo-9H-fluorene?
The IUPAC name of 9-bromo-9H-fluorene (CID 16024) is 9-bromo-9H-fluorene.
What is the SMILES notation for 9-bromo-9H-fluorene?
The canonical SMILES for 9-bromo-9H-fluorene is BrC1c2ccccc2-c2ccccc21.
What is the InChIKey of 9-bromo-9H-fluorene?
The InChIKey is AHCDKANCCBEQJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Br/c14-13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)13/h1-8,13H.
What are the key properties of 9-bromo-9H-fluorene?
9-bromo-9H-fluorene has a molecular weight of 245.12 g/mol, XLogP of 4.15, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-bromo-9H-fluorene is sourced from PubChem (CID 16024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).