2,4,6-tribromophenyl 3,4-dibromo-2,2,3,4,4-pentafluorobutanoate

• ChemBase编号: 99210
• 分子式: C10H2Br5F5O2
• 平均质量: 648.633696
• 单一同位素质量: 643.5891804
• SMILES: FC(C(C(C(=O)Oc1c(cc(cc1Br)Br)Br)(F)F)(Br)F)(Br)F
• Canonical SMILES: Brc1cc(Br)c(c(c1)Br)OC(=O)C(C(C(Br)(F)F)(Br)F)(F)F
• InChI: InChI=1S/C10H2Br5F5O2/c11-3-1-4(12)6(5(13)2-3)22-7(21)8(16,17)9(14,18)10(15,19)20/h1-2H
• InChIKey: NGFNCJHFVBQNMS-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2,4,6-tribromophenyl 3,4-dibromo-2,2,3,4,4-pentafluorobutanoate
• IUPAC传统名: 2,4,6-tribromophenyl 3,4-dibromo-2,2,3,4,4-pentafluorobutanoate
• 别名: 2,4,6-Tribromophenyl 3,4-dibromo-2,2,3,4,4-pentafluorobutanoate; 2,4,6-Tribromophenyl 3,4-dibromoperfluorobutanoate

登记号

• CAS号: 124311-21-3
• PubChem SID: 162085500
• PubChem CID: 14533538

理论计算性质

• 质子受体: 1
• 质子供体: 0
• LogD (pH = 5.5): 7.0018973
• LogD (pH = 7.4): 7.0018973
• Log P: 7.0018973
• 摩尔折射率: 85.7834 cm^3
• 极化性: 34.02722 Å^3
• 极化表面积: 26.3 Å^2
• 可自由旋转的化学键: 5
• 里宾斯基五规则: false

分子性质

安全信息

• 保存注意事项: Irritant

详细说明

Apollo Scientific Ltd - PC6729

High density damping fluid