942271-60-5 (4-fluoro-2-nitro-benzoic acid tert-butyl ester,Tert-butyl 4-fluoro-2-nitrobenzoate)

CAS号:
942271-60-5
中文名称:
4-fluoro-2-nitro-benzoic acid tert-butyl ester
英文名称:
Tert-butyl 4-fluoro-2-nitrobenzoate
分子式:
C11H12FNO4
分子量:
241.215686798096

4-fluoro-2-nitro-benzoic acid tert-butyl ester(942271-60-5)名称与标识符

名称

中文别名:
4-氟-2-硝基苯甲酸叔丁酯;4-氟-2-硝基-苯甲酸叔丁酯;
英文别名:
4-fluoro-2-nitro-benzoic acid tert-butyl ester;tert-butyl 4-fluoro-2-nitrobenzoate;C11H12FNO4;JLGPJOUWLXCECT-UHFFFAOYSA-N;SY060687;BC6253169;4-Fluoro-2-nitrobenzoic acid tert-butyl ester;DB-367796;AKOS027255694;942271-60-5;CS-0035947;W10941;A1-01356;AS-67093;tert-butyl4-fluoro-2-nitrobenzoate;MFCD26384452;SCHEMBL592368;

标识符

MDL:
MFCD26384452
InChIKey:
JLGPJOUWLXCECT-UHFFFAOYSA-N
Inchi:
1S/C11H12FNO4/c1-11(2,3)17-10(14)8-5-4-7(12)6-9(8)13(15)16/h4-6H,1-3H3
SMILES:
FC1C=CC(=C(C=1)[N+](=O)[O-])C(=O)OC(C)(C)C

4-fluoro-2-nitro-benzoic acid tert-butyl ester(942271-60-5)物化性质

计算特性

  • 精确分子量 : 241.07503603g/mol
  • 氢键供体数量 : 0
  • 氢键受体数量 : 5
  • 可旋转化学键数量 : 3
  • 同位素质量 : 241.07503603g/mol
  • 重原子数量 : 17
  • 复杂度 : 308
  • 同位素原子数量 : 0
  • 确定原子立构中心数量 : 0
  • 不确定原子立构中心数量 : 0
  • 确定化学键立构中心数量 : 0
  • 不确定化学键立构中心数量 : 0
  • 共价键单元数量 : 1
  • 疏水参数计算参考值(XlogP) : 2.9
  • 拓扑分子极性表面积 : 72.1

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4-fluoro-2-nitro-benzoic acid tert-butyl ester(942271-60-5)合成路线

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