2,4-dibromobenzoic acid

C7H4Br2O2 — CID 11896

IUPAC2,4-dibromobenzoic acid
SMILESO=C(O)c1ccc(Br)cc1Br
InChIInChI=1S/C7H4Br2O2/c8-4-1-2-5(7(10)11)6(9)3-4/h1-3H,(H,10,11)
InChIKeyNAGGYODWMPFKJQ-UHFFFAOYSA-N
MW279.92 g/mol
LogP2.91
Rot. Bonds1

About 2,4-dibromobenzoic acid

2,4-dibromobenzoic acid (PubChem CID 11896) has the molecular formula C7H4Br2O2 and a molecular weight of 279.92 g/mol. Its IUPAC name is 2,4-dibromobenzoic acid.

Molecular Properties

Compound Name2,4-dibromobenzoic acid
PubChem CID11896
Molecular FormulaC7H4Br2O2
Molecular Weight279.92 g/mol
Exact Mass277.86
IUPAC Name2,4-dibromobenzoic acid
SMILESO=C(O)c1ccc(Br)cc1Br
InChIInChI=1S/C7H4Br2O2/c8-4-1-2-5(7(10)11)6(9)3-4/h1-3H,(H,10,11)
InChIKeyNAGGYODWMPFKJQ-UHFFFAOYSA-N
XLogP2.91
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.92
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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bis(2-amino-5-bromobenzoic acid);cobalt
CID 5074264
2-(2,4-dibromophenyl)benzoic acid
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5-bromo-2-(2,4-dibromoanilino)benzoic acid
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CID 107944461
2,4-dibromo-N-methylbenzamide
CID 54214948
5-bromo-2-(4-bromo-2-carboxyphenoxy)benzoic acid
CID 54758731
CID 144689894
CID 144689894
5-bromo-2-(2-bromoacetyl)benzoic acid
CID 91882524
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CID 107941660

Frequently Asked Questions

What is the IUPAC name of 2,4-dibromobenzoic acid?
The IUPAC name of 2,4-dibromobenzoic acid (CID 11896) is 2,4-dibromobenzoic acid.
What is the SMILES notation for 2,4-dibromobenzoic acid?
The canonical SMILES for 2,4-dibromobenzoic acid is O=C(O)c1ccc(Br)cc1Br.
What is the InChIKey of 2,4-dibromobenzoic acid?
The InChIKey is NAGGYODWMPFKJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4Br2O2/c8-4-1-2-5(7(10)11)6(9)3-4/h1-3H,(H,10,11).
What are the key properties of 2,4-dibromobenzoic acid?
2,4-dibromobenzoic acid has a molecular weight of 279.92 g/mol, XLogP of 2.91, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dibromobenzoic acid is sourced from PubChem (CID 11896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).