3-chloro-5-(5-chlorothiophen-2-yl)benzoic acid

C11H6Cl2O2S — CID 107957397

IUPAC3-chloro-5-(5-chlorothiophen-2-yl)benzoic acid
SMILESO=C(O)c1cc(Cl)cc(-c2ccc(Cl)s2)c1
InChIInChI=1S/C11H6Cl2O2S/c12-8-4-6(3-7(5-8)11(14)15)9-1-2-10(13)16-9/h1-5H,(H,14,15)
InChIKeyJJBPIAJXIPHZQX-UHFFFAOYSA-N
MW273.14 g/mol
LogP4.42
Rot. Bonds2

About 3-chloro-5-(5-chlorothiophen-2-yl)benzoic acid

3-chloro-5-(5-chlorothiophen-2-yl)benzoic acid (PubChem CID 107957397) has the molecular formula C11H6Cl2O2S and a molecular weight of 273.14 g/mol. Its IUPAC name is 3-chloro-5-(5-chlorothiophen-2-yl)benzoic acid.

Molecular Properties

Compound Name3-chloro-5-(5-chlorothiophen-2-yl)benzoic acid
PubChem CID107957397
Molecular FormulaC11H6Cl2O2S
Molecular Weight273.14 g/mol
Exact Mass271.95
IUPAC Name3-chloro-5-(5-chlorothiophen-2-yl)benzoic acid
SMILESO=C(O)c1cc(Cl)cc(-c2ccc(Cl)s2)c1
InChIInChI=1S/C11H6Cl2O2S/c12-8-4-6(3-7(5-8)11(14)15)9-1-2-10(13)16-9/h1-5H,(H,14,15)
InChIKeyJJBPIAJXIPHZQX-UHFFFAOYSA-N
XLogP4.42
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.14
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-(5-chlorothiophen-2-yl)benzoic acid?
The IUPAC name of 3-chloro-5-(5-chlorothiophen-2-yl)benzoic acid (CID 107957397) is 3-chloro-5-(5-chlorothiophen-2-yl)benzoic acid.
What is the SMILES notation for 3-chloro-5-(5-chlorothiophen-2-yl)benzoic acid?
The canonical SMILES for 3-chloro-5-(5-chlorothiophen-2-yl)benzoic acid is O=C(O)c1cc(Cl)cc(-c2ccc(Cl)s2)c1.
What is the InChIKey of 3-chloro-5-(5-chlorothiophen-2-yl)benzoic acid?
The InChIKey is JJBPIAJXIPHZQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6Cl2O2S/c12-8-4-6(3-7(5-8)11(14)15)9-1-2-10(13)16-9/h1-5H,(H,14,15).
What are the key properties of 3-chloro-5-(5-chlorothiophen-2-yl)benzoic acid?
3-chloro-5-(5-chlorothiophen-2-yl)benzoic acid has a molecular weight of 273.14 g/mol, XLogP of 4.42, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-(5-chlorothiophen-2-yl)benzoic acid is sourced from PubChem (CID 107957397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).