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

C13H7Br2FO3 — CID 107282562

IUPAC2-bromo-4-(4-bromo-3-fluorophenoxy)benzoic acid
SMILESO=C(O)c1ccc(Oc2ccc(Br)c(F)c2)cc1Br
InChIInChI=1S/C13H7Br2FO3/c14-10-4-2-8(6-12(10)16)19-7-1-3-9(13(17)18)11(15)5-7/h1-6H,(H,17,18)
InChIKeyPGNDFUHALDUHLL-UHFFFAOYSA-N
MW390.00 g/mol
LogP4.84
Rot. Bonds3

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

2-bromo-4-(4-bromo-3-fluorophenoxy)benzoic acid (PubChem CID 107282562) has the molecular formula C13H7Br2FO3 and a molecular weight of 390.00 g/mol. Its IUPAC name is 2-bromo-4-(4-bromo-3-fluorophenoxy)benzoic acid.

Molecular Properties

Compound Name2-bromo-4-(4-bromo-3-fluorophenoxy)benzoic acid
PubChem CID107282562
Molecular FormulaC13H7Br2FO3
Molecular Weight390.00 g/mol
Exact Mass387.87
IUPAC Name2-bromo-4-(4-bromo-3-fluorophenoxy)benzoic acid
SMILESO=C(O)c1ccc(Oc2ccc(Br)c(F)c2)cc1Br
InChIInChI=1S/C13H7Br2FO3/c14-10-4-2-8(6-12(10)16)19-7-1-3-9(13(17)18)11(15)5-7/h1-6H,(H,17,18)
InChIKeyPGNDFUHALDUHLL-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

5-(4-bromo-3-fluorophenoxy)-2-nitrobenzoic acid
CID 65203349
2-bromo-4-(2,5-difluorophenoxy)benzoic acid
CID 107282547
2-bromo-4-naphthalen-2-yloxybenzoic acid
CID 107282443
2-bromo-4-(2-fluoro-5-methylphenoxy)benzoic acid
CID 107282560
2-(4-bromo-3-fluorophenoxy)pyridine-3-carboxylic acid
CID 65203992
4-[(4-bromo-3-fluorophenoxy)methyl]-2-fluorobenzoic acid
CID 106698455
4-bromo-2-(3-bromo-4-fluorophenoxy)benzoic acid
CID 83234465
2-bromo-4-(2-methoxyphenoxy)benzoic acid
CID 107282440
2-bromo-4-(2-fluoroethoxy)benzoic acid
CID 87321445
2-fluoro-4-(3-fluorophenoxy)benzoic acid
CID 177076537
2-chloro-4-(4-chloro-3-fluorophenoxy)benzoic acid
CID 82726948
3-[3-(4-bromo-3-fluorophenoxy)phenyl]prop-2-enoic acid
CID 77059471

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-(4-bromo-3-fluorophenoxy)benzoic acid?
The IUPAC name of 2-bromo-4-(4-bromo-3-fluorophenoxy)benzoic acid (CID 107282562) is 2-bromo-4-(4-bromo-3-fluorophenoxy)benzoic acid.
What is the SMILES notation for 2-bromo-4-(4-bromo-3-fluorophenoxy)benzoic acid?
The canonical SMILES for 2-bromo-4-(4-bromo-3-fluorophenoxy)benzoic acid is O=C(O)c1ccc(Oc2ccc(Br)c(F)c2)cc1Br.
What is the InChIKey of 2-bromo-4-(4-bromo-3-fluorophenoxy)benzoic acid?
The InChIKey is PGNDFUHALDUHLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7Br2FO3/c14-10-4-2-8(6-12(10)16)19-7-1-3-9(13(17)18)11(15)5-7/h1-6H,(H,17,18).
What are the key properties of 2-bromo-4-(4-bromo-3-fluorophenoxy)benzoic acid?
2-bromo-4-(4-bromo-3-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 2-bromo-4-(4-bromo-3-fluorophenoxy)benzoic acid is sourced from PubChem (CID 107282562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).