1345847-71-3 (methyl 1-(4-fluorophenylcarbamoyl)cyclopropanecarboxylate,Methyl 1-((4-fluorophenyl)carbamoyl)cyclopropanecarboxylate)

CAS号:
1345847-71-3
中文名称:
methyl 1-(4-fluorophenylcarbamoyl)cyclopropanecarboxylate
英文名称:
Methyl 1-((4-fluorophenyl)carbamoyl)cyclopropanecarboxylate
分子式:
C12H12FNO3
分子量:
237.226986885071

methyl 1-(4-fluorophenylcarbamoyl)cyclopropanecarboxylate(1345847-71-3)名称与标识符

名称

中文别名:
1-(4-氟苯基氨基甲酰)环丙烷羧酸甲酯;1-(4-氟苯基氨基甲酰基)环丙烷羧酸甲酯;1-((4-氟苯基)氨基甲酰基)环丙烷羧酸甲酯;
英文别名:
methyl 1-(4-fluorophenylcarbamoyl)cyclopropanecarboxylate;methyl 1-((4-fluorophenyl)carbamoyl)cyclopropanecarboxylate;BQEDPQDMNWOYLK-UHFFFAOYSA-N;AK684076;J3.598.034B;methyl 1-[(4-fluorophenyl)carbamoyl]cyclopropane-1-carboxylate;1-[(4-Fluorophenyl)carbamoyl]cyclopropanecarboxylic acid methyl ester;Cyclopropanecarboxylic acid, 1-(((4-fluorophenyl)amino)carbonyl)-, methyl ester;CS-0161985;L3H3F16H8J;AKOS037648685;UNII-L3H3F16H8J;BS-15196;METHYL 1-[(4-FLUOROPHENYL)CARBAMOYL]CYCLOPROPANECARBOXYLATE;DA-33376;C72370;SCHEMBL105727;MFCD27939981;methyl1-((4-fluorophenyl)carbamoyl)cyclopropanecarboxylate;Methyl 1-((4-fluorophenyl)carbamoyl)cyclopropane carboxylate;1345847-71-3;VDC84771;

标识符

MDL:
MFCD27939981
InChIKey:
BQEDPQDMNWOYLK-UHFFFAOYSA-N
Inchi:
1S/C12H12FNO3/c1-17-11(16)12(6-7-12)10(15)14-9-4-2-8(13)3-5-9/h2-5H,6-7H2,1H3,(H,14,15)
SMILES:
FC1C=CC(=CC=1)NC(C1(C(=O)OC)CC1)=O

methyl 1-(4-fluorophenylcarbamoyl)cyclopropanecarboxylate(1345847-71-3)物化性质

计算特性

  • 精确分子量 : 237.08012141g/mol
  • 氢键供体数量 : 1
  • 氢键受体数量 : 4
  • 可旋转化学键数量 : 4
  • 同位素质量 : 237.08012141g/mol
  • 重原子数量 : 17
  • 复杂度 : 320
  • 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) : 2.1
  • 拓扑分子极性表面积 : 55.4

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