7-bromonaphthalene-1-carboxylate;thallium(1+)

C11H6BrO2Tl — CID 22604889

IUPAC7-bromonaphthalene-1-carboxylate;thallium(1+)
SMILESO=C([O-])c1cccc2ccc(Br)cc12.[Tl+]
InChIInChI=1S/C11H7BrO2.Tl/c12-8-5-4-7-2-1-3-9(11(13)14)10(7)6-8;/h1-6H,(H,13,14);/q;+1/p-1
InChIKeyZUXWTYNOECSAQE-UHFFFAOYSA-M
MW454.45 g/mol
LogP1.59
Rot. Bonds1

About 7-bromonaphthalene-1-carboxylate;thallium(1+)

7-bromonaphthalene-1-carboxylate;thallium(1+) (PubChem CID 22604889) has the molecular formula C11H6BrO2Tl and a molecular weight of 454.45 g/mol. Its IUPAC name is 7-bromonaphthalene-1-carboxylate;thallium(1+).

Molecular Properties

Compound Name7-bromonaphthalene-1-carboxylate;thallium(1+)
PubChem CID22604889
Molecular FormulaC11H6BrO2Tl
Molecular Weight454.45 g/mol
Exact Mass453.93
IUPAC Name7-bromonaphthalene-1-carboxylate;thallium(1+)
SMILESO=C([O-])c1cccc2ccc(Br)cc12.[Tl+]
InChIInChI=1S/C11H7BrO2.Tl/c12-8-5-4-7-2-1-3-9(11(13)14)10(7)6-8;/h1-6H,(H,13,14);/q;+1/p-1
InChIKeyZUXWTYNOECSAQE-UHFFFAOYSA-M
XLogP1.59
TPSA40.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.45
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-bromonaphthalene-1-carboxylate;thallium(1+)?
The IUPAC name of 7-bromonaphthalene-1-carboxylate;thallium(1+) (CID 22604889) is 7-bromonaphthalene-1-carboxylate;thallium(1+).
What is the SMILES notation for 7-bromonaphthalene-1-carboxylate;thallium(1+)?
The canonical SMILES for 7-bromonaphthalene-1-carboxylate;thallium(1+) is O=C([O-])c1cccc2ccc(Br)cc12.[Tl+].
What is the InChIKey of 7-bromonaphthalene-1-carboxylate;thallium(1+)?
The InChIKey is ZUXWTYNOECSAQE-UHFFFAOYSA-M. The full InChI is InChI=1S/C11H7BrO2.Tl/c12-8-5-4-7-2-1-3-9(11(13)14)10(7)6-8;/h1-6H,(H,13,14);/q;+1/p-1.
What are the key properties of 7-bromonaphthalene-1-carboxylate;thallium(1+)?
7-bromonaphthalene-1-carboxylate;thallium(1+) has a molecular weight of 454.45 g/mol, XLogP of 1.59, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromonaphthalene-1-carboxylate;thallium(1+) is sourced from PubChem (CID 22604889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).