2-(2,4,5-tribromophenyl)acetic acid

C8H5Br3O2 — CID 119010967

IUPAC2-(2,4,5-tribromophenyl)acetic acid
SMILESO=C(O)Cc1cc(Br)c(Br)cc1Br
InChIInChI=1S/C8H5Br3O2/c9-5-3-7(11)6(10)1-4(5)2-8(12)13/h1,3H,2H2,(H,12,13)
InChIKeyGFKHFOZGTYDKBQ-UHFFFAOYSA-N
MW372.84 g/mol
LogP3.60
Rot. Bonds2

About 2-(2,4,5-tribromophenyl)acetic acid

2-(2,4,5-tribromophenyl)acetic acid (PubChem CID 119010967) has the molecular formula C8H5Br3O2 and a molecular weight of 372.84 g/mol. Its IUPAC name is 2-(2,4,5-tribromophenyl)acetic acid.

Molecular Properties

Compound Name2-(2,4,5-tribromophenyl)acetic acid
PubChem CID119010967
Molecular FormulaC8H5Br3O2
Molecular Weight372.84 g/mol
Exact Mass369.78
IUPAC Name2-(2,4,5-tribromophenyl)acetic acid
SMILESO=C(O)Cc1cc(Br)c(Br)cc1Br
InChIInChI=1S/C8H5Br3O2/c9-5-3-7(11)6(10)1-4(5)2-8(12)13/h1,3H,2H2,(H,12,13)
InChIKeyGFKHFOZGTYDKBQ-UHFFFAOYSA-N
XLogP3.60
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.84
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4,5-tribromophenyl)acetic acid?
The IUPAC name of 2-(2,4,5-tribromophenyl)acetic acid (CID 119010967) is 2-(2,4,5-tribromophenyl)acetic acid.
What is the SMILES notation for 2-(2,4,5-tribromophenyl)acetic acid?
The canonical SMILES for 2-(2,4,5-tribromophenyl)acetic acid is O=C(O)Cc1cc(Br)c(Br)cc1Br.
What is the InChIKey of 2-(2,4,5-tribromophenyl)acetic acid?
The InChIKey is GFKHFOZGTYDKBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5Br3O2/c9-5-3-7(11)6(10)1-4(5)2-8(12)13/h1,3H,2H2,(H,12,13).
What are the key properties of 2-(2,4,5-tribromophenyl)acetic acid?
2-(2,4,5-tribromophenyl)acetic acid has a molecular weight of 372.84 g/mol, XLogP of 3.60, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4,5-tribromophenyl)acetic acid is sourced from PubChem (CID 119010967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).