$l^{1}-thallanylium formate

• ChemBase ID: 109844
• Molecular Formular: CHO2Tl
• Molecular Mass: 249.40074
• Monoisotopic Mass: 249.97208127
• SMILES: [Tl+].[O-]C=O
• Canonical SMILES: [O-]C=O.[Tl+]
• InChI: InChI=1S/CH2O2.Tl/c2-1-3;/h1H,(H,2,3);/q;+1/p-1
• InChIKey: UESISTHQAYQMRA-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: $l^{1}-thallanylium formate
• IUPAC Traditional name: thallium(1+) formira
• Synonyms: THALLIUM FORMATE (OUS)

Database IDs

• CAS Number: 992-98-3
• PubChem SID: 162095209
• PubChem CID: 101939

CALCULATED PROPERTIES

• Acid pKa: 4.269118
• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): -1.5255477
• LogD (pH = 7.4): -3.257304
• Log P: -0.27204442
• Molar Refractivity: 18.9903 cm^3
• Polarizability: 3.1383486 Å^3
• Polar Surface Area: 40.13 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• European Hazard Symbols: Highly toxic (T+)
• Risk Statements: R:26/28-33
• Safety Statements: S:13-28-45

DETAILS

MP Biomedicals - 05212778

MP Biomedicals Rare Chemical collection