4-bromo-2-(4-fluorobenzoyl)benzoic acid

C14H8BrFO3 — CID 22175464

IUPAC4-bromo-2-(4-fluorobenzoyl)benzoic acid
SMILESO=C(O)c1ccc(Br)cc1C(=O)c1ccc(F)cc1
InChIInChI=1S/C14H8BrFO3/c15-9-3-6-11(14(18)19)12(7-9)13(17)8-1-4-10(16)5-2-8/h1-7H,(H,18,19)
InChIKeyGMOCIHNSNISFHX-UHFFFAOYSA-N
MW323.12 g/mol
LogP3.52
Rot. Bonds3

About 4-bromo-2-(4-fluorobenzoyl)benzoic acid

4-bromo-2-(4-fluorobenzoyl)benzoic acid (PubChem CID 22175464) has the molecular formula C14H8BrFO3 and a molecular weight of 323.12 g/mol. Its IUPAC name is 4-bromo-2-(4-fluorobenzoyl)benzoic acid.

Molecular Properties

Compound Name4-bromo-2-(4-fluorobenzoyl)benzoic acid
PubChem CID22175464
Molecular FormulaC14H8BrFO3
Molecular Weight323.12 g/mol
Exact Mass321.96
IUPAC Name4-bromo-2-(4-fluorobenzoyl)benzoic acid
SMILESO=C(O)c1ccc(Br)cc1C(=O)c1ccc(F)cc1
InChIInChI=1S/C14H8BrFO3/c15-9-3-6-11(14(18)19)12(7-9)13(17)8-1-4-10(16)5-2-8/h1-7H,(H,18,19)
InChIKeyGMOCIHNSNISFHX-UHFFFAOYSA-N
XLogP3.52
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.12
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-(4-fluorobenzoyl)benzoic acid?
The IUPAC name of 4-bromo-2-(4-fluorobenzoyl)benzoic acid (CID 22175464) is 4-bromo-2-(4-fluorobenzoyl)benzoic acid.
What is the SMILES notation for 4-bromo-2-(4-fluorobenzoyl)benzoic acid?
The canonical SMILES for 4-bromo-2-(4-fluorobenzoyl)benzoic acid is O=C(O)c1ccc(Br)cc1C(=O)c1ccc(F)cc1.
What is the InChIKey of 4-bromo-2-(4-fluorobenzoyl)benzoic acid?
The InChIKey is GMOCIHNSNISFHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8BrFO3/c15-9-3-6-11(14(18)19)12(7-9)13(17)8-1-4-10(16)5-2-8/h1-7H,(H,18,19).
What are the key properties of 4-bromo-2-(4-fluorobenzoyl)benzoic acid?
4-bromo-2-(4-fluorobenzoyl)benzoic acid has a molecular weight of 323.12 g/mol, XLogP of 3.52, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-(4-fluorobenzoyl)benzoic acid is sourced from PubChem (CID 22175464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).