4-chloro-2-(3-chloro-4-fluorophenyl)benzoic acid

C13H7Cl2FO2 — CID 53226934

IUPAC4-chloro-2-(3-chloro-4-fluorophenyl)benzoic acid
SMILESO=C(O)c1ccc(Cl)cc1-c1ccc(F)c(Cl)c1
InChIInChI=1S/C13H7Cl2FO2/c14-8-2-3-9(13(17)18)10(6-8)7-1-4-12(16)11(15)5-7/h1-6H,(H,17,18)
InChIKeyUFYQNGSFYTVFGG-UHFFFAOYSA-N
MW285.10 g/mol
LogP4.50
Rot. Bonds2

About 4-chloro-2-(3-chloro-4-fluorophenyl)benzoic acid

4-chloro-2-(3-chloro-4-fluorophenyl)benzoic acid (PubChem CID 53226934) has the molecular formula C13H7Cl2FO2 and a molecular weight of 285.10 g/mol. Its IUPAC name is 4-chloro-2-(3-chloro-4-fluorophenyl)benzoic acid.

Molecular Properties

Compound Name4-chloro-2-(3-chloro-4-fluorophenyl)benzoic acid
PubChem CID53226934
Molecular FormulaC13H7Cl2FO2
Molecular Weight285.10 g/mol
Exact Mass283.98
IUPAC Name4-chloro-2-(3-chloro-4-fluorophenyl)benzoic acid
SMILESO=C(O)c1ccc(Cl)cc1-c1ccc(F)c(Cl)c1
InChIInChI=1S/C13H7Cl2FO2/c14-8-2-3-9(13(17)18)10(6-8)7-1-4-12(16)11(15)5-7/h1-6H,(H,17,18)
InChIKeyUFYQNGSFYTVFGG-UHFFFAOYSA-N
XLogP4.50
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.10
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-chloro-2-(3,4,5-trichlorophenyl)benzoic acid
CID 134629032
4-(2,5-dichlorophenyl)-2-fluorobenzoic acid
CID 53211133
4-chloro-2-[4-fluoro-3-(trifluoromethyl)phenyl]benzoic acid
CID 53228331
5-(3-chloro-4-fluorophenyl)-2,4-dimethylbenzoic acid
CID 107515684
2-chloro-4-(2,5-dichlorophenyl)benzoic acid
CID 53227705
5-(2,5-dichlorophenyl)-2-fluorobenzoic acid
CID 53211132
4-chloro-2-phenylbenzoic acid
CID 11424784
4-(2,4-dichlorophenyl)-2-fluorobenzoic acid
CID 53211711
4-chloro-2-[4-(hydroxymethyl)phenyl]benzoic acid
CID 53225386
4-chloro-2-(3-hydroxyphenyl)benzoic acid
CID 53224976
4-(2,5-dichlorophenyl)-2-(trifluoromethyl)benzoic acid
CID 107333223
4-chloro-2-(2,3,4-trifluorophenyl)benzoic acid
CID 114024694

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(3-chloro-4-fluorophenyl)benzoic acid?
The IUPAC name of 4-chloro-2-(3-chloro-4-fluorophenyl)benzoic acid (CID 53226934) is 4-chloro-2-(3-chloro-4-fluorophenyl)benzoic acid.
What is the SMILES notation for 4-chloro-2-(3-chloro-4-fluorophenyl)benzoic acid?
The canonical SMILES for 4-chloro-2-(3-chloro-4-fluorophenyl)benzoic acid is O=C(O)c1ccc(Cl)cc1-c1ccc(F)c(Cl)c1.
What is the InChIKey of 4-chloro-2-(3-chloro-4-fluorophenyl)benzoic acid?
The InChIKey is UFYQNGSFYTVFGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7Cl2FO2/c14-8-2-3-9(13(17)18)10(6-8)7-1-4-12(16)11(15)5-7/h1-6H,(H,17,18).
What are the key properties of 4-chloro-2-(3-chloro-4-fluorophenyl)benzoic acid?
4-chloro-2-(3-chloro-4-fluorophenyl)benzoic acid has a molecular weight of 285.10 g/mol, XLogP of 4.50, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(3-chloro-4-fluorophenyl)benzoic acid is sourced from PubChem (CID 53226934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).