6-chloro-1-benzofuran-7-carboxylic acid

C9H5ClO3 — CID 22140746

IUPAC6-chloro-1-benzofuran-7-carboxylic acid
SMILESO=C(O)c1c(Cl)ccc2ccoc12
InChIInChI=1S/C9H5ClO3/c10-6-2-1-5-3-4-13-8(5)7(6)9(11)12/h1-4H,(H,11,12)
InChIKeyBPHNVHYYTFDGHU-UHFFFAOYSA-N
MW196.59 g/mol
LogP2.78
Rot. Bonds1

About 6-chloro-1-benzofuran-7-carboxylic acid

6-chloro-1-benzofuran-7-carboxylic acid (PubChem CID 22140746) has the molecular formula C9H5ClO3 and a molecular weight of 196.59 g/mol. Its IUPAC name is 6-chloro-1-benzofuran-7-carboxylic acid.

Molecular Properties

Compound Name6-chloro-1-benzofuran-7-carboxylic acid
PubChem CID22140746
Molecular FormulaC9H5ClO3
Molecular Weight196.59 g/mol
Exact Mass195.99
IUPAC Name6-chloro-1-benzofuran-7-carboxylic acid
SMILESO=C(O)c1c(Cl)ccc2ccoc12
InChIInChI=1S/C9H5ClO3/c10-6-2-1-5-3-4-13-8(5)7(6)9(11)12/h1-4H,(H,11,12)
InChIKeyBPHNVHYYTFDGHU-UHFFFAOYSA-N
XLogP2.78
TPSA50.44 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.59
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Benzofuran-7-Carboxylic Acid
CID 13307983
6-Chloro-1-benzofuran
CID 17842438
7-(4-Chlorobenzoyl)benzofuran-5-ylacetic acid
CID 13704398
2-[7-(4-Chlorobenzoyl)-1-benzofuran-5-yl]propanoic acid
CID 13704414
5-Chloro-1-benzofuran-7-carboxylic acid
CID 14838647
5-Chloro-1-benzofuran-3-carboxylic acid
CID 18987480
7-Methyl-1-benzofuran-3-carboxylic acid
CID 26367041
2-(5-Chloro-1-benzofuran-2-yl)acetic acid
CID 28909773
7-Chloro-1-benzofuran-3-carboxylic acid
CID 65439700
5-Fluoro-1-benzofuran-7-carboxylic acid
CID 69204668
6-Fluoro-1-benzofuran-7-carboxylic acid
CID 84718324
4-Fluoro-1-benzofuran-7-carboxylic acid
CID 130120050

Frequently Asked Questions

What is the IUPAC name of 6-chloro-1-benzofuran-7-carboxylic acid?
The IUPAC name of 6-chloro-1-benzofuran-7-carboxylic acid (CID 22140746) is 6-chloro-1-benzofuran-7-carboxylic acid.
What is the SMILES notation for 6-chloro-1-benzofuran-7-carboxylic acid?
The canonical SMILES for 6-chloro-1-benzofuran-7-carboxylic acid is O=C(O)c1c(Cl)ccc2ccoc12.
What is the InChIKey of 6-chloro-1-benzofuran-7-carboxylic acid?
The InChIKey is BPHNVHYYTFDGHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5ClO3/c10-6-2-1-5-3-4-13-8(5)7(6)9(11)12/h1-4H,(H,11,12).
What are the key properties of 6-chloro-1-benzofuran-7-carboxylic acid?
6-chloro-1-benzofuran-7-carboxylic acid has a molecular weight of 196.59 g/mol, XLogP of 2.78, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-1-benzofuran-7-carboxylic acid is sourced from PubChem (CID 22140746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).