heptachloroquinoline

• ChemBase ID: 90842
• Molecular Formular: C9Cl7N
• Molecular Mass: 370.274
• Monoisotopic Mass: 366.78504277
• SMILES: n1c(c(c(c2c(c(c(c(c12)Cl)Cl)Cl)Cl)Cl)Cl)Cl
• Canonical SMILES: Clc1nc2c(c(c1Cl)Cl)c(Cl)c(c(c2Cl)Cl)Cl
• InChI: InChI=1S/C9Cl7N/c10-2-1-3(11)7(15)9(16)17-8(1)6(14)5(13)4(2)12
• InChIKey: CMWSJLNFOVKWGA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: heptachloroquinoline
• IUPAC Traditional name: heptachloroquinoline
• Synonyms: Heptachloro-1-azanaphthalene; Heptachloroquinoline

Database IDs

• CAS Number: 1084-27-1
• PubChem SID: 162077551
• PubChem CID: 56604199

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 6.5793905
• LogD (pH = 7.4): 6.5793905
• Log P: 6.5793905
• Molar Refractivity: 74.6742 cm^3
• Polarizability: 30.61224 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: 155°C

Safety Information

• Storage Warning: Harmful/Irritant