4-bromo-3-fluorobenzoic acid

C7H4BrFO2 — CID 2773341

IUPAC4-bromo-3-fluorobenzoic acid
SMILESO=C(O)c1ccc(Br)c(F)c1
InChIInChI=1S/C7H4BrFO2/c8-5-2-1-4(7(10)11)3-6(5)9/h1-3H,(H,10,11)
InChIKeyRMYOGXPGIDWJLU-UHFFFAOYSA-N
MW219.01 g/mol
LogP2.29
Rot. Bonds1

About 4-bromo-3-fluorobenzoic acid

4-bromo-3-fluorobenzoic acid (PubChem CID 2773341) has the molecular formula C7H4BrFO2 and a molecular weight of 219.01 g/mol. Its IUPAC name is 4-bromo-3-fluorobenzoic acid.

Molecular Properties

Compound Name4-bromo-3-fluorobenzoic acid
PubChem CID2773341
Molecular FormulaC7H4BrFO2
Molecular Weight219.01 g/mol
Exact Mass217.94
IUPAC Name4-bromo-3-fluorobenzoic acid
SMILESO=C(O)c1ccc(Br)c(F)c1
InChIInChI=1S/C7H4BrFO2/c8-5-2-1-4(7(10)11)3-6(5)9/h1-3H,(H,10,11)
InChIKeyRMYOGXPGIDWJLU-UHFFFAOYSA-N
XLogP2.29
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.01
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-fluorobenzoic acid?
The IUPAC name of 4-bromo-3-fluorobenzoic acid (CID 2773341) is 4-bromo-3-fluorobenzoic acid.
What is the SMILES notation for 4-bromo-3-fluorobenzoic acid?
The canonical SMILES for 4-bromo-3-fluorobenzoic acid is O=C(O)c1ccc(Br)c(F)c1.
What is the InChIKey of 4-bromo-3-fluorobenzoic acid?
The InChIKey is RMYOGXPGIDWJLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4BrFO2/c8-5-2-1-4(7(10)11)3-6(5)9/h1-3H,(H,10,11).
What are the key properties of 4-bromo-3-fluorobenzoic acid?
4-bromo-3-fluorobenzoic acid has a molecular weight of 219.01 g/mol, XLogP of 2.29, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3-fluorobenzoic acid is sourced from PubChem (CID 2773341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).