7-bromo-9-oxofluorene-4-carboxylic acid

C14H7BrO3 — CID 68686419

IUPAC7-bromo-9-oxofluorene-4-carboxylic acid
SMILESO=C(O)c1cccc2c1-c1ccc(Br)cc1C2=O
InChIInChI=1S/C14H7BrO3/c15-7-4-5-8-11(6-7)13(16)9-2-1-3-10(12(8)9)14(17)18/h1-6H,(H,17,18)
InChIKeyANGYJEVSTJHKDD-UHFFFAOYSA-N
MW303.11 g/mol
LogP3.36
Rot. Bonds1

About 7-bromo-9-oxofluorene-4-carboxylic acid

7-bromo-9-oxofluorene-4-carboxylic acid (PubChem CID 68686419) has the molecular formula C14H7BrO3 and a molecular weight of 303.11 g/mol. Its IUPAC name is 7-bromo-9-oxofluorene-4-carboxylic acid.

Molecular Properties

Compound Name7-bromo-9-oxofluorene-4-carboxylic acid
PubChem CID68686419
Molecular FormulaC14H7BrO3
Molecular Weight303.11 g/mol
Exact Mass301.96
IUPAC Name7-bromo-9-oxofluorene-4-carboxylic acid
SMILESO=C(O)c1cccc2c1-c1ccc(Br)cc1C2=O
InChIInChI=1S/C14H7BrO3/c15-7-4-5-8-11(6-7)13(16)9-2-1-3-10(12(8)9)14(17)18/h1-6H,(H,17,18)
InChIKeyANGYJEVSTJHKDD-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 7-bromo-9-oxofluorene-4-carboxylic acid?
The IUPAC name of 7-bromo-9-oxofluorene-4-carboxylic acid (CID 68686419) is 7-bromo-9-oxofluorene-4-carboxylic acid.
What is the SMILES notation for 7-bromo-9-oxofluorene-4-carboxylic acid?
The canonical SMILES for 7-bromo-9-oxofluorene-4-carboxylic acid is O=C(O)c1cccc2c1-c1ccc(Br)cc1C2=O.
What is the InChIKey of 7-bromo-9-oxofluorene-4-carboxylic acid?
The InChIKey is ANGYJEVSTJHKDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7BrO3/c15-7-4-5-8-11(6-7)13(16)9-2-1-3-10(12(8)9)14(17)18/h1-6H,(H,17,18).
What are the key properties of 7-bromo-9-oxofluorene-4-carboxylic acid?
7-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 7-bromo-9-oxofluorene-4-carboxylic acid is sourced from PubChem (CID 68686419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).