3,5-dichlorobenzoic acid

C7H4Cl2O2 — CID 5811

IUPAC3,5-dichlorobenzoic acid
SMILESO=C(O)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C7H4Cl2O2/c8-5-1-4(7(10)11)2-6(9)3-5/h1-3H,(H,10,11)
InChIKeyCXKCZFDUOYMOOP-UHFFFAOYSA-N
MW191.01 g/mol
LogP2.69
Rot. Bonds1

About 3,5-dichlorobenzoic acid

3,5-dichlorobenzoic acid (PubChem CID 5811) has the molecular formula C7H4Cl2O2 and a molecular weight of 191.01 g/mol. Its IUPAC name is 3,5-dichlorobenzoic acid.

Molecular Properties

Compound Name3,5-dichlorobenzoic acid
PubChem CID5811
Molecular FormulaC7H4Cl2O2
Molecular Weight191.01 g/mol
Exact Mass189.96
IUPAC Name3,5-dichlorobenzoic acid
SMILESO=C(O)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C7H4Cl2O2/c8-5-1-4(7(10)11)2-6(9)3-5/h1-3H,(H,10,11)
InChIKeyCXKCZFDUOYMOOP-UHFFFAOYSA-N
XLogP2.69
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.01
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-Chlorobenzoic Acid
CID 6318
2-Chlorobenzoic Acid
CID 8374
3-Chlorobenzoic Acid
CID 447
m-Chloroperbenzoic acid
CID 70297
2,3,6-Trichlorobenzoic acid
CID 5759
2,6-Dichlorobenzoic acid
CID 5758
2,4-Dichlorobenzoic Acid
CID 5787
2,5-Dichlorobenzoic acid
CID 5784
3,4-Dichlorobenzoic acid
CID 5817
2,3-Dichlorobenzoic acid
CID 5765
Sodium p-chlorobenzoate
CID 23691027
3-Chloro-2-methylbenzoic acid
CID 82010

Frequently Asked Questions

What is the IUPAC name of 3,5-dichlorobenzoic acid?
The IUPAC name of 3,5-dichlorobenzoic acid (CID 5811) is 3,5-dichlorobenzoic acid.
What is the SMILES notation for 3,5-dichlorobenzoic acid?
The canonical SMILES for 3,5-dichlorobenzoic acid is O=C(O)c1cc(Cl)cc(Cl)c1.
What is the InChIKey of 3,5-dichlorobenzoic acid?
The InChIKey is CXKCZFDUOYMOOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4Cl2O2/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-dichlorobenzoic acid?
3,5-dichlorobenzoic acid has a molecular weight of 191.01 g/mol, XLogP of 2.69, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichlorobenzoic acid is sourced from PubChem (CID 5811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).