2-(4-bromo-3-chlorophenoxy)acetic acid

C8H6BrClO3 — CID 22633682

IUPAC2-(4-bromo-3-chlorophenoxy)acetic acid
SMILESO=C(O)COc1ccc(Br)c(Cl)c1
InChIInChI=1S/C8H6BrClO3/c9-6-2-1-5(3-7(6)10)13-4-8(11)12/h1-3H,4H2,(H,11,12)
InChIKeyHAUHNCHOZRUXRI-UHFFFAOYSA-N
MW265.49 g/mol
LogP2.57
Rot. Bonds3

About 2-(4-bromo-3-chlorophenoxy)acetic acid

2-(4-bromo-3-chlorophenoxy)acetic acid (PubChem CID 22633682) has the molecular formula C8H6BrClO3 and a molecular weight of 265.49 g/mol. Its IUPAC name is 2-(4-bromo-3-chlorophenoxy)acetic acid.

Molecular Properties

Compound Name2-(4-bromo-3-chlorophenoxy)acetic acid
PubChem CID22633682
Molecular FormulaC8H6BrClO3
Molecular Weight265.49 g/mol
Exact Mass263.92
IUPAC Name2-(4-bromo-3-chlorophenoxy)acetic acid
SMILESO=C(O)COc1ccc(Br)c(Cl)c1
InChIInChI=1S/C8H6BrClO3/c9-6-2-1-5(3-7(6)10)13-4-8(11)12/h1-3H,4H2,(H,11,12)
InChIKeyHAUHNCHOZRUXRI-UHFFFAOYSA-N
XLogP2.57
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.49
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-bromo-3-chlorophenoxy)acetamide
CID 130655715
methyl 2-(4-bromo-3-chlorophenoxy)acetate
CID 171692268
2-(4-bromo-3-ethylphenoxy)acetic acid
CID 14207512
2-[3-chloro-4-(2,4,5-trichlorophenyl)phenoxy]acetic acid
CID 59946846
2-[4-(aminomethyl)-3-chlorophenoxy]acetic acid
CID 102723879
2-(3-bromo-4-fluorophenoxy)acetic acid
CID 83231542
2-(4-bromo-3-chlorophenoxy)acetaldehyde
CID 130729736
bis(2-(3,4-dichlorophenoxy)acetic acid);bis(diphenylphosphorylbenzene)
CID 139053943
bis(2-(4-chlorophenoxy)acetic acid);zinc
CID 11201418
2-(7-chloronaphthalen-2-yl)oxyacetic acid
CID 154365176
2-[3-chloro-4-(3-methylbutanoyl)phenoxy]acetic acid
CID 154091734
2-(4-bromo-3-chlorophenoxy)acetonitrile
CID 130608314

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-3-chlorophenoxy)acetic acid?
The IUPAC name of 2-(4-bromo-3-chlorophenoxy)acetic acid (CID 22633682) is 2-(4-bromo-3-chlorophenoxy)acetic acid.
What is the SMILES notation for 2-(4-bromo-3-chlorophenoxy)acetic acid?
The canonical SMILES for 2-(4-bromo-3-chlorophenoxy)acetic acid is O=C(O)COc1ccc(Br)c(Cl)c1.
What is the InChIKey of 2-(4-bromo-3-chlorophenoxy)acetic acid?
The InChIKey is HAUHNCHOZRUXRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6BrClO3/c9-6-2-1-5(3-7(6)10)13-4-8(11)12/h1-3H,4H2,(H,11,12).
What are the key properties of 2-(4-bromo-3-chlorophenoxy)acetic acid?
2-(4-bromo-3-chlorophenoxy)acetic acid has a molecular weight of 265.49 g/mol, XLogP of 2.57, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-3-chlorophenoxy)acetic acid is sourced from PubChem (CID 22633682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).