3,5-dibromobenzoic acid

C7H4Br2O2 — CID 12063

IUPAC3,5-dibromobenzoic acid
SMILESO=C(O)c1cc(Br)cc(Br)c1
InChIInChI=1S/C7H4Br2O2/c8-5-1-4(7(10)11)2-6(9)3-5/h1-3H,(H,10,11)
InChIKeySFTFNJZWZHASAQ-UHFFFAOYSA-N
MW279.92 g/mol
LogP2.91
Rot. Bonds1

About 3,5-dibromobenzoic acid

3,5-dibromobenzoic acid (PubChem CID 12063) has the molecular formula C7H4Br2O2 and a molecular weight of 279.92 g/mol. Its IUPAC name is 3,5-dibromobenzoic acid.

Molecular Properties

Compound Name3,5-dibromobenzoic acid
PubChem CID12063
Molecular FormulaC7H4Br2O2
Molecular Weight279.92 g/mol
Exact Mass277.86
IUPAC Name3,5-dibromobenzoic acid
SMILESO=C(O)c1cc(Br)cc(Br)c1
InChIInChI=1S/C7H4Br2O2/c8-5-1-4(7(10)11)2-6(9)3-5/h1-3H,(H,10,11)
InChIKeySFTFNJZWZHASAQ-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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CID 76857
4-Bromobenzoic acid
CID 11464
2-Bromobenzoic acid
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4-(Bromomethyl)benzoic acid
CID 22599
3-Bromobenzoic acid
CID 11456
Methyl 3-bromobenzoate
CID 12070
2,5-Dibromobenzoic acid
CID 11891
benzoic acid, p-bromo-, sodium salt
CID 23690998
2-Bromobenzene-1,3-dicarboxylic acid
CID 329530
4-Bromophthalic acid
CID 81428
4-Bromo-2-methylbenzoic acid
CID 99570
2-Bromo-4-methylbenzoic acid
CID 226292

Frequently Asked Questions

What is the IUPAC name of 3,5-dibromobenzoic acid?
The IUPAC name of 3,5-dibromobenzoic acid (CID 12063) is 3,5-dibromobenzoic acid.
What is the SMILES notation for 3,5-dibromobenzoic acid?
The canonical SMILES for 3,5-dibromobenzoic acid is O=C(O)c1cc(Br)cc(Br)c1.
What is the InChIKey of 3,5-dibromobenzoic acid?
The InChIKey is SFTFNJZWZHASAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4Br2O2/c8-5-1-4(7(10)11)2-6(9)3-5/h1-3H,(H,10,11).
What are the key properties of 3,5-dibromobenzoic acid?
3,5-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 3,5-dibromobenzoic acid is sourced from PubChem (CID 12063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).