6-chloro-4-oxochromene-2-carboxylic acid

C10H5ClO4 — CID 21107

IUPAC6-chloro-4-oxochromene-2-carboxylic acid
SMILESO=C(O)c1cc(=O)c2cc(Cl)ccc2o1
InChIInChI=1S/C10H5ClO4/c11-5-1-2-8-6(3-5)7(12)4-9(15-8)10(13)14/h1-4H,(H,13,14)
InChIKeyHALQFUWRVXLBIS-UHFFFAOYSA-N
MW224.60 g/mol
LogP2.14
Rot. Bonds1

About 6-chloro-4-oxochromene-2-carboxylic acid

6-chloro-4-oxochromene-2-carboxylic acid (PubChem CID 21107) has the molecular formula C10H5ClO4 and a molecular weight of 224.60 g/mol. Its IUPAC name is 6-chloro-4-oxochromene-2-carboxylic acid.

Molecular Properties

Compound Name6-chloro-4-oxochromene-2-carboxylic acid
PubChem CID21107
Molecular FormulaC10H5ClO4
Molecular Weight224.60 g/mol
Exact Mass223.99
IUPAC Name6-chloro-4-oxochromene-2-carboxylic acid
SMILESO=C(O)c1cc(=O)c2cc(Cl)ccc2o1
InChIInChI=1S/C10H5ClO4/c11-5-1-2-8-6(3-5)7(12)4-9(15-8)10(13)14/h1-4H,(H,13,14)
InChIKeyHALQFUWRVXLBIS-UHFFFAOYSA-N
XLogP2.14
TPSA67.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.60
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 2741
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3,6-Dichloro-2-phenyl-4h-chromen-4-one
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6-chloro-2-(4-fluorophenyl)-4H-chromen-4-one
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2-(4-Chloro-2-formylphenoxy)acetic acid
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CID 806314
6-Chlorochroman-4-one
CID 95273
6-Chlorochromone
CID 601989
6-Methylchromone-2-carboxylic Acid
CID 688704
2-(2-Acetylphenoxy)acetic acid
CID 2803551

Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-oxochromene-2-carboxylic acid?
The IUPAC name of 6-chloro-4-oxochromene-2-carboxylic acid (CID 21107) is 6-chloro-4-oxochromene-2-carboxylic acid.
What is the SMILES notation for 6-chloro-4-oxochromene-2-carboxylic acid?
The canonical SMILES for 6-chloro-4-oxochromene-2-carboxylic acid is O=C(O)c1cc(=O)c2cc(Cl)ccc2o1.
What is the InChIKey of 6-chloro-4-oxochromene-2-carboxylic acid?
The InChIKey is HALQFUWRVXLBIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5ClO4/c11-5-1-2-8-6(3-5)7(12)4-9(15-8)10(13)14/h1-4H,(H,13,14).
What are the key properties of 6-chloro-4-oxochromene-2-carboxylic acid?
6-chloro-4-oxochromene-2-carboxylic acid has a molecular weight of 224.60 g/mol, XLogP of 2.14, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-oxochromene-2-carboxylic acid is sourced from PubChem (CID 21107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).