potassium 5-bromo-2-chlorobenzoate

C7H3BrClKO2 — CID 23680159

IUPACpotassium 5-bromo-2-chlorobenzoate
SMILESO=C([O-])c1cc(Br)ccc1Cl.[K+]
InChIInChI=1S/C7H4BrClO2.K/c8-4-1-2-6(9)5(3-4)7(10)11;/h1-3H,(H,10,11);/q;+1/p-1
InChIKeyWXFJAGOKTHQWOD-UHFFFAOYSA-M
MW273.55 g/mol
LogP-1.53
Rot. Bonds1

About potassium 5-bromo-2-chlorobenzoate

potassium 5-bromo-2-chlorobenzoate (PubChem CID 23680159) has the molecular formula C7H3BrClKO2 and a molecular weight of 273.55 g/mol. Its IUPAC name is potassium 5-bromo-2-chlorobenzoate.

Molecular Properties

Compound Namepotassium 5-bromo-2-chlorobenzoate
PubChem CID23680159
Molecular FormulaC7H3BrClKO2
Molecular Weight273.55 g/mol
Exact Mass271.86
IUPAC Namepotassium 5-bromo-2-chlorobenzoate
SMILESO=C([O-])c1cc(Br)ccc1Cl.[K+]
InChIInChI=1S/C7H4BrClO2.K/c8-4-1-2-6(9)5(3-4)7(10)11;/h1-3H,(H,10,11);/q;+1/p-1
InChIKeyWXFJAGOKTHQWOD-UHFFFAOYSA-M
XLogP-1.53
TPSA40.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.55
LogP ≤ 5-1.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

sodium 5-bromo-2-chlorobenzoate
CID 138319500
1-(5-bromo-2-chlorophenyl)-2-chloroethanone
CID 79018243
2-amino-5-bromo-3-chlorobenzoate
CID 6948109
2-amino-1-(5-bromo-2-chlorophenyl)propan-1-one
CID 84710830
5-[(2Z)-2-[1-(4-bromophenyl)ethylidene]hydrazinyl]-2-chlorobenzoate
CID 7416836
potassium 2-acetamido-4-bromobenzoate
CID 170782729
5-bromo-2-chloro-N'-(2-chlorobenzoyl)benzohydrazide
CID 35929301
4-bromo-1-chloro-2-prop-1-en-2-ylbenzene
CID 68562751
(5-bromo-2-chlorophenyl)-(2,5-dichlorothiophen-3-yl)methanone
CID 43378893
(5-bromo-2-chlorophenyl)-(2,3,5,6-tetramethylphenyl)methanone
CID 43378825
azocan-1-yl-(5-bromo-2-chlorophenyl)methanone
CID 17167181
4-bromobenzene-1,2-dicarbonyl chloride
CID 14784692

Frequently Asked Questions

What is the IUPAC name of potassium 5-bromo-2-chlorobenzoate?
The IUPAC name of potassium 5-bromo-2-chlorobenzoate (CID 23680159) is potassium 5-bromo-2-chlorobenzoate.
What is the SMILES notation for potassium 5-bromo-2-chlorobenzoate?
The canonical SMILES for potassium 5-bromo-2-chlorobenzoate is O=C([O-])c1cc(Br)ccc1Cl.[K+].
What is the InChIKey of potassium 5-bromo-2-chlorobenzoate?
The InChIKey is WXFJAGOKTHQWOD-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H4BrClO2.K/c8-4-1-2-6(9)5(3-4)7(10)11;/h1-3H,(H,10,11);/q;+1/p-1.
What are the key properties of potassium 5-bromo-2-chlorobenzoate?
potassium 5-bromo-2-chlorobenzoate has a molecular weight of 273.55 g/mol, XLogP of -1.53, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 5-bromo-2-chlorobenzoate is sourced from PubChem (CID 23680159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).