chloro chlorate

• ChemBase ID: 126980
• Molecular Formular: Cl2O3
• Molecular Mass: 118.9042
• Monoisotopic Mass: 117.92244922
• SMILES: ClO[Cl](=O)=O
• Canonical SMILES: ClO[Cl](=O)=O
• InChI: InChI=1S/Cl2O3/c1-5-2(3)4
• InChIKey: SAUMVKNLVQDHMJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: chloro chlorate
• IUPAC Traditional name: dichlorine trioxide
• Synonyms: chlorine trioxide; chlorine chlorate; chlorine(I,V) oxide; Dichlorine trioxide

Database IDs

• CAS Number: 17496-59-2
• PubChem SID: 162221303
• PubChem CID: 167661; 22642048
• Chemspider ID: 11514723
• Wikipedia Title: Dichlorine_trioxide

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 0.9574614
• LogD (pH = 7.4): 0.9574614
• Log P: 0.9574614
• Molar Refractivity: 16.5086 cm^3
• Polarizability: 6.983874 Å^3
• Polar Surface Area: 43.37 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: dark brown solid
• Melting Point: explodes below 0 °C