6-chloro-9-oxofluorene-1-carboxylic acid

C14H7ClO3 — CID 18725229

IUPAC6-chloro-9-oxofluorene-1-carboxylic acid
SMILESO=C(O)c1cccc2c1C(=O)c1ccc(Cl)cc1-2
InChIInChI=1S/C14H7ClO3/c15-7-4-5-9-11(6-7)8-2-1-3-10(14(17)18)12(8)13(9)16/h1-6H,(H,17,18)
InChIKeyMHRJCAAEOPJGBZ-UHFFFAOYSA-N
MW258.66 g/mol
LogP3.25
Rot. Bonds1

About 6-chloro-9-oxofluorene-1-carboxylic acid

6-chloro-9-oxofluorene-1-carboxylic acid (PubChem CID 18725229) has the molecular formula C14H7ClO3 and a molecular weight of 258.66 g/mol. Its IUPAC name is 6-chloro-9-oxofluorene-1-carboxylic acid.

Molecular Properties

Compound Name6-chloro-9-oxofluorene-1-carboxylic acid
PubChem CID18725229
Molecular FormulaC14H7ClO3
Molecular Weight258.66 g/mol
Exact Mass258.01
IUPAC Name6-chloro-9-oxofluorene-1-carboxylic acid
SMILESO=C(O)c1cccc2c1C(=O)c1ccc(Cl)cc1-2
InChIInChI=1S/C14H7ClO3/c15-7-4-5-9-11(6-7)8-2-1-3-10(14(17)18)12(8)13(9)16/h1-6H,(H,17,18)
InChIKeyMHRJCAAEOPJGBZ-UHFFFAOYSA-N
XLogP3.25
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.66
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-9-oxofluorene-1-carboxylic acid?
The IUPAC name of 6-chloro-9-oxofluorene-1-carboxylic acid (CID 18725229) is 6-chloro-9-oxofluorene-1-carboxylic acid.
What is the SMILES notation for 6-chloro-9-oxofluorene-1-carboxylic acid?
The canonical SMILES for 6-chloro-9-oxofluorene-1-carboxylic acid is O=C(O)c1cccc2c1C(=O)c1ccc(Cl)cc1-2.
What is the InChIKey of 6-chloro-9-oxofluorene-1-carboxylic acid?
The InChIKey is MHRJCAAEOPJGBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7ClO3/c15-7-4-5-9-11(6-7)8-2-1-3-10(14(17)18)12(8)13(9)16/h1-6H,(H,17,18).
What are the key properties of 6-chloro-9-oxofluorene-1-carboxylic acid?
6-chloro-9-oxofluorene-1-carboxylic acid has a molecular weight of 258.66 g/mol, XLogP of 3.25, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-9-oxofluorene-1-carboxylic acid is sourced from PubChem (CID 18725229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).