potassium 2-carboxy-3,6-dichlorobenzoate

C8H3Cl2KO4 — CID 118064263

IUPACpotassium 2-carboxy-3,6-dichlorobenzoate
SMILESO=C([O-])c1c(Cl)ccc(Cl)c1C(=O)O.[K+]
InChIInChI=1S/C8H4Cl2O4.K/c9-3-1-2-4(10)6(8(13)14)5(3)7(11)12;/h1-2H,(H,11,12)(H,13,14);/q;+1/p-1
InChIKeyVCWDMDWVWKYKDH-UHFFFAOYSA-M
MW273.11 g/mol
LogP-1.94
Rot. Bonds2

About potassium 2-carboxy-3,6-dichlorobenzoate

potassium 2-carboxy-3,6-dichlorobenzoate (PubChem CID 118064263) has the molecular formula C8H3Cl2KO4 and a molecular weight of 273.11 g/mol. Its IUPAC name is potassium 2-carboxy-3,6-dichlorobenzoate.

Molecular Properties

Compound Namepotassium 2-carboxy-3,6-dichlorobenzoate
PubChem CID118064263
Molecular FormulaC8H3Cl2KO4
Molecular Weight273.11 g/mol
Exact Mass271.90
IUPAC Namepotassium 2-carboxy-3,6-dichlorobenzoate
SMILESO=C([O-])c1c(Cl)ccc(Cl)c1C(=O)O.[K+]
InChIInChI=1S/C8H4Cl2O4.K/c9-3-1-2-4(10)6(8(13)14)5(3)7(11)12;/h1-2H,(H,11,12)(H,13,14);/q;+1/p-1
InChIKeyVCWDMDWVWKYKDH-UHFFFAOYSA-M
XLogP-1.94
TPSA77.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.11
LogP ≤ 5-1.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,6-dichloro-2-hydroxybenzoic acid
CID 162211371
CID 11251659
CID 11251659
sodium 2,6-dichloro-3-fluorobenzoate
CID 171476400
azanium 3,6-dichloro-2-methoxybenzoate
CID 67127214
4-chloro-2-nitrobenzene-1,3-dicarboxylic acid
CID 173206681
2-amino-6-chloro-3-hydroxybenzoic acid
CID 71381631
6-chloro-3-fluoro-2-methylbenzoic acid
CID 68752912
carbonic acid;3,6-dichloro-2-methoxybenzoic acid
CID 175112629
6-chloro-3-methyl-2-nitrobenzoic acid
CID 130611710
3-(bromomethyl)-2,6-dichlorobenzoic acid
CID 171020155
2-chloro-6-(2-chlorophenyl)benzoic acid
CID 53225809
6-chloro-3-hydroxy-2-methoxybenzoic acid
CID 117291132

Frequently Asked Questions

What is the IUPAC name of potassium 2-carboxy-3,6-dichlorobenzoate?
The IUPAC name of potassium 2-carboxy-3,6-dichlorobenzoate (CID 118064263) is potassium 2-carboxy-3,6-dichlorobenzoate.
What is the SMILES notation for potassium 2-carboxy-3,6-dichlorobenzoate?
The canonical SMILES for potassium 2-carboxy-3,6-dichlorobenzoate is O=C([O-])c1c(Cl)ccc(Cl)c1C(=O)O.[K+].
What is the InChIKey of potassium 2-carboxy-3,6-dichlorobenzoate?
The InChIKey is VCWDMDWVWKYKDH-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H4Cl2O4.K/c9-3-1-2-4(10)6(8(13)14)5(3)7(11)12;/h1-2H,(H,11,12)(H,13,14);/q;+1/p-1.
What are the key properties of potassium 2-carboxy-3,6-dichlorobenzoate?
potassium 2-carboxy-3,6-dichlorobenzoate has a molecular weight of 273.11 g/mol, XLogP of -1.94, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 2-carboxy-3,6-dichlorobenzoate is sourced from PubChem (CID 118064263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).