2-bromofluoren-9-one

C13H7BrO — CID 725831

IUPAC2-bromofluoren-9-one
SMILESO=C1c2ccccc2-c2ccc(Br)cc21
InChIInChI=1S/C13H7BrO/c14-8-5-6-10-9-3-1-2-4-11(9)13(15)12(10)7-8/h1-7H
InChIKeyMTCARZDHUIEYMB-UHFFFAOYSA-N
MW259.10 g/mol
LogP3.66
Rot. Bonds

About 2-bromofluoren-9-one

2-bromofluoren-9-one (PubChem CID 725831) has the molecular formula C13H7BrO and a molecular weight of 259.10 g/mol. Its IUPAC name is 2-bromofluoren-9-one.

Molecular Properties

Compound Name2-bromofluoren-9-one
PubChem CID725831
Molecular FormulaC13H7BrO
Molecular Weight259.10 g/mol
Exact Mass257.97
IUPAC Name2-bromofluoren-9-one
SMILESO=C1c2ccccc2-c2ccc(Br)cc21
InChIInChI=1S/C13H7BrO/c14-8-5-6-10-9-3-1-2-4-11(9)13(15)12(10)7-8/h1-7H
InChIKeyMTCARZDHUIEYMB-UHFFFAOYSA-N
XLogP3.66
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.10
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-bromofluoren-9-one?
The IUPAC name of 2-bromofluoren-9-one (CID 725831) is 2-bromofluoren-9-one.
What is the SMILES notation for 2-bromofluoren-9-one?
The canonical SMILES for 2-bromofluoren-9-one is O=C1c2ccccc2-c2ccc(Br)cc21.
What is the InChIKey of 2-bromofluoren-9-one?
The InChIKey is MTCARZDHUIEYMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7BrO/c14-8-5-6-10-9-3-1-2-4-11(9)13(15)12(10)7-8/h1-7H.
What are the key properties of 2-bromofluoren-9-one?
2-bromofluoren-9-one has a molecular weight of 259.10 g/mol, XLogP of 3.66, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromofluoren-9-one is sourced from PubChem (CID 725831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).