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HIT219476037
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HIT219476037
  • HIT ID:HIT219476037
  • Cas No:
  • 常用名:hydrogen 8-(2-carboxylatoethyl)-2,2-difluoro-4,6,10,12-tetramethyl-1lambda5,3-diaza-2-boratricyclo[7.3.0.0^{3,7}]dodeca-1(12),4,6,8,10-pentaen-1-ylium-2-uide
    常用名:hydrogen 8-(2-carboxylatoethyl)-2,2-difluoro-4,6,10,12-tetramethyl-1lambda5,3-diaza-2-boratricyclo[7.3.0.0^{3,7}]dodeca-1(12),4,6,8,10-pentaen-1-ylium-2-uide
  • IUPAC:hydrogen 8-(2-carboxylatoethyl)-2,2-difluoro-4,6,10,12-tetramethyl-1lambda5,3-diaza-2-boratricyclo[7.3.0.0^{3,7}]dodeca-1(12),4,6,8,10-pentaen-1-ylium-2-uide
    IUPAC:hydrogen 8-(2-carboxylatoethyl)-2,2-difluoro-4,6,10,12-tetramethyl-1lambda5,3-diaza-2-boratricyclo[7.3.0.0^{3,7}]dodeca-1(12),4,6,8,10-pentaen-1-ylium-2-uide
  • InChI key:CGXIGIMNOJHGAP-UHFFFAOYSA-N
  • 分子式:C16H19BF2N2O2
  • 分子量:320.15
  • 氢键供体数 (HBD):
  • 氢键受体数 (HBA):
  • LogP:
  • SMILES:[H+].CC1=CC(C)=[N+]2C1=C(CCC([O-])=O)c1c(C)cc(C)n1[B-]2(F)F
    SMILES:[H+].CC1=CC(C)=[N+]2C1=C(CCC([O-])=O)c1c(C)cc(C)n1[B-]2(F)F
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