2-bromo-9-oxofluorene-4-carboxylic acid

C14H7BrO3 — CID 68690695

IUPAC2-bromo-9-oxofluorene-4-carboxylic acid
SMILESO=C(O)c1cc(Br)cc2c1-c1ccccc1C2=O
InChIInChI=1S/C14H7BrO3/c15-7-5-10-12(11(6-7)14(17)18)8-3-1-2-4-9(8)13(10)16/h1-6H,(H,17,18)
InChIKeyRLGVCFOTZIDDFO-UHFFFAOYSA-N
MW303.11 g/mol
LogP3.36
Rot. Bonds1

About 2-bromo-9-oxofluorene-4-carboxylic acid

2-bromo-9-oxofluorene-4-carboxylic acid (PubChem CID 68690695) has the molecular formula C14H7BrO3 and a molecular weight of 303.11 g/mol. Its IUPAC name is 2-bromo-9-oxofluorene-4-carboxylic acid.

Molecular Properties

Compound Name2-bromo-9-oxofluorene-4-carboxylic acid
PubChem CID68690695
Molecular FormulaC14H7BrO3
Molecular Weight303.11 g/mol
Exact Mass301.96
IUPAC Name2-bromo-9-oxofluorene-4-carboxylic acid
SMILESO=C(O)c1cc(Br)cc2c1-c1ccccc1C2=O
InChIInChI=1S/C14H7BrO3/c15-7-5-10-12(11(6-7)14(17)18)8-3-1-2-4-9(8)13(10)16/h1-6H,(H,17,18)
InChIKeyRLGVCFOTZIDDFO-UHFFFAOYSA-N
XLogP3.36
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.11
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-9-oxofluorene-4-carboxylic acid?
The IUPAC name of 2-bromo-9-oxofluorene-4-carboxylic acid (CID 68690695) is 2-bromo-9-oxofluorene-4-carboxylic acid.
What is the SMILES notation for 2-bromo-9-oxofluorene-4-carboxylic acid?
The canonical SMILES for 2-bromo-9-oxofluorene-4-carboxylic acid is O=C(O)c1cc(Br)cc2c1-c1ccccc1C2=O.
What is the InChIKey of 2-bromo-9-oxofluorene-4-carboxylic acid?
The InChIKey is RLGVCFOTZIDDFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7BrO3/c15-7-5-10-12(11(6-7)14(17)18)8-3-1-2-4-9(8)13(10)16/h1-6H,(H,17,18).
What are the key properties of 2-bromo-9-oxofluorene-4-carboxylic acid?
2-bromo-9-oxofluorene-4-carboxylic acid has a molecular weight of 303.11 g/mol, XLogP of 3.36, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-9-oxofluorene-4-carboxylic acid is sourced from PubChem (CID 68690695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).