9-[(4-fluorophenyl)methylidene]-2,4,5,7-tetranitro-9H-fluorene

• ChemBase编号: 95458
• 分子式: C20H9FN4O8
• 平均质量: 452.3058632
• 单一同位素质量: 452.04044149
• SMILES: [N+](=O)(c1c2c(cc(c1)[N+](=O)[O-])/C(=C\c1ccc(cc1)F)/c1c2c(cc(c1)[N+](=O)[O-])[N+](=O)[O-])[O-]
• Canonical SMILES: Fc1ccc(cc1)/C=C/1\c2cc(cc(c2c2c1cc(cc2[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]
• InChI: InChI=1S/C20H9FN4O8/c21-11-3-1-10(2-4-11)5-14-15-6-12(22(26)27)8-17(24(30)31)19(15)20-16(14)7-13(23(28)29)9-18(20)25(32)33/h1-9H
• InChIKey: VSRLISSDKRZTJE-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 9-[(4-fluorophenyl)methylidene]-2,4,5,7-tetranitro-9H-fluorene
• IUPAC传统名: 9-[(4-fluorophenyl)methylidene]-2,4,5,7-tetranitrofluorene
• 别名: 9-(4-fluorobenzylidene)-2,4,5,7-tetranitro-9H-fluorene

登记号

• MDL号: MFCD00218435
• PubChem SID: 162082107
• PubChem CID: 2779819

理论计算性质

• 质子受体: 8
• 质子供体: 0
• LogD (pH = 5.5): 5.3229036
• LogD (pH = 7.4): 5.3229036
• Log P: 5.3229036
• 摩尔折射率: 123.6589 cm^3
• 极化性: 41.050316 Å^3
• 极化表面积: 183.28 Å^2
• 可自由旋转的化学键: 5
• 里宾斯基五规则: false