2-bromo-6-(3-chloro-2-fluorophenoxy)benzoic acid

C13H7BrClFO3 — CID 114888729

IUPAC2-bromo-6-(3-chloro-2-fluorophenoxy)benzoic acid
SMILESO=C(O)c1c(Br)cccc1Oc1cccc(Cl)c1F
InChIInChI=1S/C13H7BrClFO3/c14-7-3-1-5-9(11(7)13(17)18)19-10-6-2-4-8(15)12(10)16/h1-6H,(H,17,18)
InChIKeyWRZIPUVLNSIOQW-UHFFFAOYSA-N
MW345.55 g/mol
LogP4.73
Rot. Bonds3

About 2-bromo-6-(3-chloro-2-fluorophenoxy)benzoic acid

2-bromo-6-(3-chloro-2-fluorophenoxy)benzoic acid (PubChem CID 114888729) has the molecular formula C13H7BrClFO3 and a molecular weight of 345.55 g/mol. Its IUPAC name is 2-bromo-6-(3-chloro-2-fluorophenoxy)benzoic acid.

Molecular Properties

Compound Name2-bromo-6-(3-chloro-2-fluorophenoxy)benzoic acid
PubChem CID114888729
Molecular FormulaC13H7BrClFO3
Molecular Weight345.55 g/mol
Exact Mass343.93
IUPAC Name2-bromo-6-(3-chloro-2-fluorophenoxy)benzoic acid
SMILESO=C(O)c1c(Br)cccc1Oc1cccc(Cl)c1F
InChIInChI=1S/C13H7BrClFO3/c14-7-3-1-5-9(11(7)13(17)18)19-10-6-2-4-8(15)12(10)16/h1-6H,(H,17,18)
InChIKeyWRZIPUVLNSIOQW-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

2-bromo-6-(4-bromo-2,5-dichlorophenoxy)benzoic acid
CID 107661502
2-bromo-6-(3-chloro-4-fluorophenoxy)benzoic acid
CID 114888683
1-chloro-3-(3-chloro-2-fluorophenoxy)-2-fluorobenzene
CID 141078897
2-bromo-6-(3,5-difluorophenoxy)benzoic acid
CID 114888676
2-bromo-6-[2-(trifluoromethyl)phenoxy]benzoic acid
CID 114888536
2-(4-bromo-2,5-dichlorophenoxy)-6-fluorobenzoic acid
CID 107661509
2-bromo-6-(4-chloro-2,6-dimethylphenoxy)benzoic acid
CID 114888598
6-(3-chloro-2-fluorophenoxy)pyridazine-3-carboxylic acid
CID 116688881
3-(3-chloro-2-fluorophenoxy)-4-nitrobenzoic acid
CID 116688858
2-amino-6-(2,3-dichlorophenoxy)-3-fluorobenzoic acid
CID 83214912
2-chloro-6-(2-methylsulfanylphenoxy)benzoic acid
CID 63648866
3-(3-chloro-2-fluorophenoxy)-6,7-dihydro-5H-cyclopenta[c]pyridazine-4-carboxylic acid
CID 162357721

Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-(3-chloro-2-fluorophenoxy)benzoic acid?
The IUPAC name of 2-bromo-6-(3-chloro-2-fluorophenoxy)benzoic acid (CID 114888729) is 2-bromo-6-(3-chloro-2-fluorophenoxy)benzoic acid.
What is the SMILES notation for 2-bromo-6-(3-chloro-2-fluorophenoxy)benzoic acid?
The canonical SMILES for 2-bromo-6-(3-chloro-2-fluorophenoxy)benzoic acid is O=C(O)c1c(Br)cccc1Oc1cccc(Cl)c1F.
What is the InChIKey of 2-bromo-6-(3-chloro-2-fluorophenoxy)benzoic acid?
The InChIKey is WRZIPUVLNSIOQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7BrClFO3/c14-7-3-1-5-9(11(7)13(17)18)19-10-6-2-4-8(15)12(10)16/h1-6H,(H,17,18).
What are the key properties of 2-bromo-6-(3-chloro-2-fluorophenoxy)benzoic acid?
2-bromo-6-(3-chloro-2-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 2-bromo-6-(3-chloro-2-fluorophenoxy)benzoic acid is sourced from PubChem (CID 114888729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).