sodium 5-bromo-2-chlorobenzoate

C7H3BrClNaO2 — CID 138319500

IUPACsodium 5-bromo-2-chlorobenzoate
SMILESO=C([O-])c1cc(Br)ccc1Cl.[Na+]
InChIInChI=1S/C7H4BrClO2.Na/c8-4-1-2-6(9)5(3-4)7(10)11;/h1-3H,(H,10,11);/q;+1/p-1
InChIKeyANTWHSXRGXGDKX-UHFFFAOYSA-M
MW257.45 g/mol
LogP-1.53
Rot. Bonds1

About sodium 5-bromo-2-chlorobenzoate

sodium 5-bromo-2-chlorobenzoate (PubChem CID 138319500) has the molecular formula C7H3BrClNaO2 and a molecular weight of 257.45 g/mol. Its IUPAC name is sodium 5-bromo-2-chlorobenzoate.

Molecular Properties

Compound Namesodium 5-bromo-2-chlorobenzoate
PubChem CID138319500
Molecular FormulaC7H3BrClNaO2
Molecular Weight257.45 g/mol
Exact Mass255.89
IUPAC Namesodium 5-bromo-2-chlorobenzoate
SMILESO=C([O-])c1cc(Br)ccc1Cl.[Na+]
InChIInChI=1S/C7H4BrClO2.Na/c8-4-1-2-6(9)5(3-4)7(10)11;/h1-3H,(H,10,11);/q;+1/p-1
InChIKeyANTWHSXRGXGDKX-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 ≤ 500257.45
LogP ≤ 5-1.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze sodium 5-bromo-2-chlorobenzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

potassium 5-bromo-2-chlorobenzoate
CID 23680159
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
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
disodium;3,5-dichlorophthalate
CID 101143275

Frequently Asked Questions

What is the IUPAC name of sodium 5-bromo-2-chlorobenzoate?
The IUPAC name of sodium 5-bromo-2-chlorobenzoate (CID 138319500) is sodium 5-bromo-2-chlorobenzoate.
What is the SMILES notation for sodium 5-bromo-2-chlorobenzoate?
The canonical SMILES for sodium 5-bromo-2-chlorobenzoate is O=C([O-])c1cc(Br)ccc1Cl.[Na+].
What is the InChIKey of sodium 5-bromo-2-chlorobenzoate?
The InChIKey is ANTWHSXRGXGDKX-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H4BrClO2.Na/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 sodium 5-bromo-2-chlorobenzoate?
sodium 5-bromo-2-chlorobenzoate has a molecular weight of 257.45 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 sodium 5-bromo-2-chlorobenzoate is sourced from PubChem (CID 138319500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).