2-chlorobenzoic acid;terbium(3+);trichloride;hydrate

C7H7Cl4O3Tb — CID 174885949

IUPAC2-chlorobenzoic acid;terbium(3+);trichloride;hydrate
SMILESO.O=C(O)c1ccccc1Cl.[Cl-].[Cl-].[Cl-].[Tb+3]
InChIInChI=1S/C7H5ClO2.3ClH.H2O.Tb/c8-6-4-2-1-3-5(6)7(9)10;;;;;/h1-4H,(H,9,10);3*1H;1H2;/q;;;;;+3/p-3
InChIKeySEBSJJMWYQCDEW-UHFFFAOYSA-K
MW439.87 g/mol
LogP-7.77
Rot. Bonds1

About 2-chlorobenzoic acid;terbium(3+);trichloride;hydrate

2-chlorobenzoic acid;terbium(3+);trichloride;hydrate (PubChem CID 174885949) has the molecular formula C7H7Cl4O3Tb and a molecular weight of 439.87 g/mol. Its IUPAC name is 2-chlorobenzoic acid;terbium(3+);trichloride;hydrate.

Molecular Properties

Compound Name2-chlorobenzoic acid;terbium(3+);trichloride;hydrate
PubChem CID174885949
Molecular FormulaC7H7Cl4O3Tb
Molecular Weight439.87 g/mol
Exact Mass437.84
IUPAC Name2-chlorobenzoic acid;terbium(3+);trichloride;hydrate
SMILESO.O=C(O)c1ccccc1Cl.[Cl-].[Cl-].[Cl-].[Tb+3]
InChIInChI=1S/C7H5ClO2.3ClH.H2O.Tb/c8-6-4-2-1-3-5(6)7(9)10;;;;;/h1-4H,(H,9,10);3*1H;1H2;/q;;;;;+3/p-3
InChIKeySEBSJJMWYQCDEW-UHFFFAOYSA-K
XLogP-7.77
TPSA68.80 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.87
LogP ≤ 5-7.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-chlorobenzoic acid;terbium(3+);trichloride;hydrate?
The IUPAC name of 2-chlorobenzoic acid;terbium(3+);trichloride;hydrate (CID 174885949) is 2-chlorobenzoic acid;terbium(3+);trichloride;hydrate.
What is the SMILES notation for 2-chlorobenzoic acid;terbium(3+);trichloride;hydrate?
The canonical SMILES for 2-chlorobenzoic acid;terbium(3+);trichloride;hydrate is O.O=C(O)c1ccccc1Cl.[Cl-].[Cl-].[Cl-].[Tb+3].
What is the InChIKey of 2-chlorobenzoic acid;terbium(3+);trichloride;hydrate?
The InChIKey is SEBSJJMWYQCDEW-UHFFFAOYSA-K. The full InChI is InChI=1S/C7H5ClO2.3ClH.H2O.Tb/c8-6-4-2-1-3-5(6)7(9)10;;;;;/h1-4H,(H,9,10);3*1H;1H2;/q;;;;;+3/p-3.
What are the key properties of 2-chlorobenzoic acid;terbium(3+);trichloride;hydrate?
2-chlorobenzoic acid;terbium(3+);trichloride;hydrate has a molecular weight of 439.87 g/mol, XLogP of -7.77, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chlorobenzoic acid;terbium(3+);trichloride;hydrate is sourced from PubChem (CID 174885949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).