chloro(oxo)iron

• ChemBase ID: 127857
• Molecular Formular: ClFeO
• Molecular Mass: 107.2974
• Monoisotopic Mass: 106.8987048
• SMILES: O=[Fe]Cl
• Canonical SMILES: Cl[Fe]=O
• InChI: InChI=1S/ClH.Fe.O/h1H;;/q;+1;/p-1
• InChIKey: YPLPZEKZDGQOOQ-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: chloro(oxo)iron
• IUPAC Traditional name: chloro(oxo)iron
• Synonyms: Iron oxychloride

Database IDs

• CAS Number: 56509-17-2
• EC Number: 260-233-0
• PubChem SID: 162222174
• PubChem CID: 6453349; 71308223
• Chemspider ID: 4955733
• Wikipedia Title: Iron_oxychloride

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 0.6831
• LogD (pH = 7.4): 0.6831
• Log P: 0.6831
• Molar Refractivity: 7.5792 cm^3
• Polarizability: 6.2828794 Å^3
• Polar Surface Area: 17.07 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: Vivid, dark violet, opaque crystals