4,7-Bis(5-bromo-4-hexylthiophen-2-yl)-5,6-difluorobenzo[c][1,2,5]thiadiazole

• Catalog: OFC1450590767
• CAS: 1450590-76-7
• Category: Fluorinated Thiophenes
• Synonyms: 4,7-bis(5-bromo-4-hexylthiophen-2-yl)-5,6-difluoro-2,1,3-benzothiadiazole
• Purity: 97%
• MDL Number: MFCD30489173

• IUPAC Name: 4,7-bis(5-bromo-4-hexylthiophen-2-yl)-5,6-difluoro-2,1,3-benzothiadiazole
• InChI: InChI=1S/C26H28Br2F2N2S3/c1-3-5-7-9-11-15-13-17(33-25(15)27)19-21(29)22(30)20(24-23(19)31-35-32-24)18-14-16(26(28)34-18)12-10-8-6-4-2/h13-14H,3-12H2,1-2H3
• InChI Key: XJWNRSCLIAJISP-UHFFFAOYSA-N
• Isomeric SMILES: CCCCCCC1=C(SC(=C1)C2=C(C(=C(C3=NSN=C23)C4=CC(=C(S4)Br)CCCCCC)F)F)Br

• Molecular Formula: C26H28Br2F2N2S3
• Molecular Weight: 662.51

• XLogP3-AA: 12.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 12
• Exact Mass: 661.97289 g/mol
• Monoisotopic Mass: 659.97494 g/mol
• Topological Polar Surface Area: 111Ų
• Heavy Atom Count: 35
• Formal Charge: 0
• Complexity: 602

• GHS Pictogram: GHS07
• Hazard Statements: H315-H319-H335
• Precautionary Statements: P261-P305+P351+P338