6-bromobenzo[7]annulen-7-one

C11H7BrO — CID 14958675

IUPAC6-bromobenzo[7]annulen-7-one
SMILESO=c1ccc2ccccc2cc1Br
InChIInChI=1S/C11H7BrO/c12-10-7-9-4-2-1-3-8(9)5-6-11(10)13/h1-7H
InChIKeyYIMVYBAJBYLOMC-UHFFFAOYSA-N
MW235.08 g/mol
LogP2.96
Rot. Bonds

About 6-bromobenzo[7]annulen-7-one

6-bromobenzo[7]annulen-7-one (PubChem CID 14958675) has the molecular formula C11H7BrO and a molecular weight of 235.08 g/mol. Its IUPAC name is 6-bromobenzo[7]annulen-7-one.

Molecular Properties

Compound Name6-bromobenzo[7]annulen-7-one
PubChem CID14958675
Molecular FormulaC11H7BrO
Molecular Weight235.08 g/mol
Exact Mass233.97
IUPAC Name6-bromobenzo[7]annulen-7-one
SMILESO=c1ccc2ccccc2cc1Br
InChIInChI=1S/C11H7BrO/c12-10-7-9-4-2-1-3-8(9)5-6-11(10)13/h1-7H
InChIKeyYIMVYBAJBYLOMC-UHFFFAOYSA-N
XLogP2.96
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.08
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-bromobenzo[7]annulen-7-one?
The IUPAC name of 6-bromobenzo[7]annulen-7-one (CID 14958675) is 6-bromobenzo[7]annulen-7-one.
What is the SMILES notation for 6-bromobenzo[7]annulen-7-one?
The canonical SMILES for 6-bromobenzo[7]annulen-7-one is O=c1ccc2ccccc2cc1Br.
What is the InChIKey of 6-bromobenzo[7]annulen-7-one?
The InChIKey is YIMVYBAJBYLOMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7BrO/c12-10-7-9-4-2-1-3-8(9)5-6-11(10)13/h1-7H.
What are the key properties of 6-bromobenzo[7]annulen-7-one?
6-bromobenzo[7]annulen-7-one has a molecular weight of 235.08 g/mol, XLogP of 2.96, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromobenzo[7]annulen-7-one is sourced from PubChem (CID 14958675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).