4-bromo-2-(3-bromo-4-fluorophenoxy)benzoic acid

C13H7Br2FO3 — CID 83234465

IUPAC4-bromo-2-(3-bromo-4-fluorophenoxy)benzoic acid
SMILESO=C(O)c1ccc(Br)cc1Oc1ccc(F)c(Br)c1
InChIInChI=1S/C13H7Br2FO3/c14-7-1-3-9(13(17)18)12(5-7)19-8-2-4-11(16)10(15)6-8/h1-6H,(H,17,18)
InChIKeyACAJMWLZLZJDFQ-UHFFFAOYSA-N
MW390.00 g/mol
LogP4.84
Rot. Bonds3

About 4-bromo-2-(3-bromo-4-fluorophenoxy)benzoic acid

4-bromo-2-(3-bromo-4-fluorophenoxy)benzoic acid (PubChem CID 83234465) has the molecular formula C13H7Br2FO3 and a molecular weight of 390.00 g/mol. Its IUPAC name is 4-bromo-2-(3-bromo-4-fluorophenoxy)benzoic acid.

Molecular Properties

Compound Name4-bromo-2-(3-bromo-4-fluorophenoxy)benzoic acid
PubChem CID83234465
Molecular FormulaC13H7Br2FO3
Molecular Weight390.00 g/mol
Exact Mass387.87
IUPAC Name4-bromo-2-(3-bromo-4-fluorophenoxy)benzoic acid
SMILESO=C(O)c1ccc(Br)cc1Oc1ccc(F)c(Br)c1
InChIInChI=1S/C13H7Br2FO3/c14-7-1-3-9(13(17)18)12(5-7)19-8-2-4-11(16)10(15)6-8/h1-6H,(H,17,18)
InChIKeyACAJMWLZLZJDFQ-UHFFFAOYSA-N
XLogP4.84
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.00
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-2-(2-bromo-4-methoxyphenoxy)benzoic acid
CID 104707938
2-(4-bromophenoxy)-4-chlorobenzoic acid
CID 55225362
2-bromo-4-(2,5-difluorophenoxy)benzoic acid
CID 107282547
5-bromo-2-(3-chloro-4-fluorophenoxy)benzoic acid
CID 114896165
2-amino-5-(3-bromo-4-fluorophenoxy)pyridine-4-carboxylic acid
CID 114195711
[4-bromo-2-(3-bromo-4-fluorophenoxy)phenyl]methanol
CID 83234633
2-bromo-4-(2-fluoro-5-methylphenoxy)benzoic acid
CID 107282560
4-(4-bromo-2-fluorophenoxy)-2-chlorobenzoic acid
CID 62946581
4-(4-bromo-2-fluorophenoxy)-2-methylbenzoic acid
CID 62136646
4-(5-bromo-2-cyanophenoxy)-2-fluorobenzoic acid
CID 107677496
2-(3-bromo-4-fluorophenoxy)-5-nitrobenzoic acid
CID 83231977
4-bromo-2-(3-methylphenoxy)benzoic acid
CID 43364853

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-(3-bromo-4-fluorophenoxy)benzoic acid?
The IUPAC name of 4-bromo-2-(3-bromo-4-fluorophenoxy)benzoic acid (CID 83234465) is 4-bromo-2-(3-bromo-4-fluorophenoxy)benzoic acid.
What is the SMILES notation for 4-bromo-2-(3-bromo-4-fluorophenoxy)benzoic acid?
The canonical SMILES for 4-bromo-2-(3-bromo-4-fluorophenoxy)benzoic acid is O=C(O)c1ccc(Br)cc1Oc1ccc(F)c(Br)c1.
What is the InChIKey of 4-bromo-2-(3-bromo-4-fluorophenoxy)benzoic acid?
The InChIKey is ACAJMWLZLZJDFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7Br2FO3/c14-7-1-3-9(13(17)18)12(5-7)19-8-2-4-11(16)10(15)6-8/h1-6H,(H,17,18).
What are the key properties of 4-bromo-2-(3-bromo-4-fluorophenoxy)benzoic acid?
4-bromo-2-(3-bromo-4-fluorophenoxy)benzoic acid has a molecular weight of 390.00 g/mol, XLogP of 4.84, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-(3-bromo-4-fluorophenoxy)benzoic acid is sourced from PubChem (CID 83234465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).