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

C13H7BrClFO3 — CID 114896165

IUPAC5-bromo-2-(3-chloro-4-fluorophenoxy)benzoic acid
SMILESO=C(O)c1cc(Br)ccc1Oc1ccc(F)c(Cl)c1
InChIInChI=1S/C13H7BrClFO3/c14-7-1-4-12(9(5-7)13(17)18)19-8-2-3-11(16)10(15)6-8/h1-6H,(H,17,18)
InChIKeyHGNDYSRQIXMGJB-UHFFFAOYSA-N
MW345.55 g/mol
LogP4.73
Rot. Bonds3

About 5-bromo-2-(3-chloro-4-fluorophenoxy)benzoic acid

5-bromo-2-(3-chloro-4-fluorophenoxy)benzoic acid (PubChem CID 114896165) has the molecular formula C13H7BrClFO3 and a molecular weight of 345.55 g/mol. Its IUPAC name is 5-bromo-2-(3-chloro-4-fluorophenoxy)benzoic acid.

Molecular Properties

Compound Name5-bromo-2-(3-chloro-4-fluorophenoxy)benzoic acid
PubChem CID114896165
Molecular FormulaC13H7BrClFO3
Molecular Weight345.55 g/mol
Exact Mass343.93
IUPAC Name5-bromo-2-(3-chloro-4-fluorophenoxy)benzoic acid
SMILESO=C(O)c1cc(Br)ccc1Oc1ccc(F)c(Cl)c1
InChIInChI=1S/C13H7BrClFO3/c14-7-1-4-12(9(5-7)13(17)18)19-8-2-3-11(16)10(15)6-8/h1-6H,(H,17,18)
InChIKeyHGNDYSRQIXMGJB-UHFFFAOYSA-N
XLogP4.73
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.55
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(4-bromo-2-fluorophenoxy)-2-chlorobenzoic acid
CID 62946581
2-(4-bromo-2-chlorophenoxy)-5-chlorobenzoic acid
CID 63459250
5-bromo-2-(4-bromo-2-carboxyphenoxy)benzoic acid
CID 54758731
4-bromo-2-(3-bromo-4-fluorophenoxy)benzoic acid
CID 83234465
2-bromo-6-(3-chloro-4-fluorophenoxy)benzoic acid
CID 114888683
4-(5-bromo-2-fluorophenoxy)-2-chlorobenzamide
CID 114673153
4-(4-bromo-2-fluorophenoxy)-2-methylbenzoic acid
CID 62136646
2-(4-bromophenoxy)-4-chlorobenzoic acid
CID 55225362
5-bromo-2-(4-fluorophenoxy)benzoic acid;methyl 5-bromo-2-(4-fluorophenoxy)benzoate
CID 164969809
4-(3-bromo-4-fluorophenoxy)-3-chlorobenzoic acid
CID 83234294
1-[5-bromo-2-(4-chloro-3-methylphenoxy)phenyl]ethanone
CID 82972295
2-[4-bromo-2-(3-chloro-4-fluorophenoxy)phenyl]ethanamine
CID 63880236

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(3-chloro-4-fluorophenoxy)benzoic acid?
The IUPAC name of 5-bromo-2-(3-chloro-4-fluorophenoxy)benzoic acid (CID 114896165) is 5-bromo-2-(3-chloro-4-fluorophenoxy)benzoic acid.
What is the SMILES notation for 5-bromo-2-(3-chloro-4-fluorophenoxy)benzoic acid?
The canonical SMILES for 5-bromo-2-(3-chloro-4-fluorophenoxy)benzoic acid is O=C(O)c1cc(Br)ccc1Oc1ccc(F)c(Cl)c1.
What is the InChIKey of 5-bromo-2-(3-chloro-4-fluorophenoxy)benzoic acid?
The InChIKey is HGNDYSRQIXMGJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7BrClFO3/c14-7-1-4-12(9(5-7)13(17)18)19-8-2-3-11(16)10(15)6-8/h1-6H,(H,17,18).
What are the key properties of 5-bromo-2-(3-chloro-4-fluorophenoxy)benzoic acid?
5-bromo-2-(3-chloro-4-fluorophenoxy)benzoic acid has a molecular weight of 345.55 g/mol, XLogP of 4.73, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(3-chloro-4-fluorophenoxy)benzoic acid is sourced from PubChem (CID 114896165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).