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

C13H8BrFO2 — CID 54325449

IUPAC4-(4-bromo-2-fluorophenyl)benzoic acid
SMILESO=C(O)c1ccc(-c2ccc(Br)cc2F)cc1
InChIInChI=1S/C13H8BrFO2/c14-10-5-6-11(12(15)7-10)8-1-3-9(4-2-8)13(16)17/h1-7H,(H,16,17)
InChIKeySUOZVUNMVFEUGZ-UHFFFAOYSA-N
MW295.11 g/mol
LogP3.95
Rot. Bonds2

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

4-(4-bromo-2-fluorophenyl)benzoic acid (PubChem CID 54325449) has the molecular formula C13H8BrFO2 and a molecular weight of 295.11 g/mol. Its IUPAC name is 4-(4-bromo-2-fluorophenyl)benzoic acid.

Molecular Properties

Compound Name4-(4-bromo-2-fluorophenyl)benzoic acid
PubChem CID54325449
Molecular FormulaC13H8BrFO2
Molecular Weight295.11 g/mol
Exact Mass293.97
IUPAC Name4-(4-bromo-2-fluorophenyl)benzoic acid
SMILESO=C(O)c1ccc(-c2ccc(Br)cc2F)cc1
InChIInChI=1S/C13H8BrFO2/c14-10-5-6-11(12(15)7-10)8-1-3-9(4-2-8)13(16)17/h1-7H,(H,16,17)
InChIKeySUOZVUNMVFEUGZ-UHFFFAOYSA-N
XLogP3.95
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.11
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-[4-(4-bromo-2-fluorophenyl)phenyl]propan-1-one
CID 822002
4-(4-aminophenyl)-3-fluorobenzoic acid
CID 166791377
sodium;4-(2,5-dibromophenyl)benzoic acid;hydride
CID 173086099
4-(2-fluoro-4-methoxycarbonylphenyl)benzoic acid
CID 53218416
3-fluoro-4-(4-formylphenyl)benzoic acid
CID 53225174
4-[4-(4-aminophenoxy)-2-fluorophenyl]benzoic acid
CID 142325651
4-(5-bromo-2-fluorophenyl)-3-chlorobenzoic acid
CID 81308229
4-[(4-bromo-2-fluorobenzoyl)amino]benzoic acid
CID 24703063
4-bromobenzoic acid;copper
CID 67824318
5-bromo-2-(4-bromophenyl)benzoic acid;hydrochloride
CID 138584228
3-fluoro-4-(4-prop-2-enylphenyl)benzoic acid
CID 67697446
6-(2,4-difluorophenyl)naphthalene-2-carboxylic acid
CID 172868740

Frequently Asked Questions

What is the IUPAC name of 4-(4-bromo-2-fluorophenyl)benzoic acid?
The IUPAC name of 4-(4-bromo-2-fluorophenyl)benzoic acid (CID 54325449) is 4-(4-bromo-2-fluorophenyl)benzoic acid.
What is the SMILES notation for 4-(4-bromo-2-fluorophenyl)benzoic acid?
The canonical SMILES for 4-(4-bromo-2-fluorophenyl)benzoic acid is O=C(O)c1ccc(-c2ccc(Br)cc2F)cc1.
What is the InChIKey of 4-(4-bromo-2-fluorophenyl)benzoic acid?
The InChIKey is SUOZVUNMVFEUGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8BrFO2/c14-10-5-6-11(12(15)7-10)8-1-3-9(4-2-8)13(16)17/h1-7H,(H,16,17).
What are the key properties of 4-(4-bromo-2-fluorophenyl)benzoic acid?
4-(4-bromo-2-fluorophenyl)benzoic acid has a molecular weight of 295.11 g/mol, XLogP of 3.95, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromo-2-fluorophenyl)benzoic acid is sourced from PubChem (CID 54325449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).