1,7,8,9,10,10-hexachlorotricyclo[5.2.1.02,6]deca-3,8-diene

• ChemBase ID: 85268
• Molecular Formular: C10H6Cl6
• Molecular Mass: 338.87264
• Monoisotopic Mass: 335.86006627
• SMILES: ClC12C(C(C3C1C=CC3)(Cl)C(=C2Cl)Cl)(Cl)Cl
• Canonical SMILES: ClC1=C(Cl)C2(C(C1(Cl)C1C2CC=C1)(Cl)Cl)Cl
• InChI: InChI=1S/C10H6Cl6/c11-6-7(12)9(14)5-3-1-2-4(5)8(6,13)10(9,15)16/h1-2,4-5H,3H2
• InChIKey: XCJXQCUJXDUNDN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,7,8,9,10,10-hexachlorotricyclo[5.2.1.0^2,^6]deca-3,8-diene; 1,7,8,9,10,10-hexachlorotricyclo[5.2.1.0^{2,6}]deca-3,8-diene
• IUPAC Traditional name: chlordene; gamma-chlordene
• Synonyms: 1,7,8,9,10,10-hexachlorotricyclo[5.2.1.0^{2,6}]deca-3,8-diene; 1,7,8,9,10,10-hexachlorotricyclo[5.2.1.0~2,6~]deca-3,8-diene

Database IDs

• MDL Number: MFCD00213568
• PubChem SID: 162072384
• PubChem CID: 19519

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 4.6189547
• LogD (pH = 7.4): 4.6189547
• Log P: 4.6189547
• Molar Refractivity: 72.4618 cm^3
• Polarizability: 27.809103 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 5.092

Product Information

• Purity: 95%