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HIT103868300
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HIT103868300
  • HIT ID:HIT103868300
  • Cas No:327033-56-7
  • Common Name:2-Chloro-5-(16,18-dioxo-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2,4,6,9,11,13-hexaen-17-yl)benzoic acid
    Common Name:2-Chloro-5-(16,18-dioxo-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2,4,6,9,11,13-hexaen-17-yl)benzoic acid
  • IUPAC:2-chloro-5-{16,18-dioxo-17-azapentacyclo[6.6.5.0^{2,7}.0^{9,14}.0^{15,19}]nonadeca-2(7),3,5,9(14),10,12-hexaen-17-yl}benzoic acid
    IUPAC:2-chloro-5-{16,18-dioxo-17-azapentacyclo[6.6.5.0^{2,7}.0^{9,14}.0^{15,19}]nonadeca-2(7),3,5,9(14),10,12-hexaen-17-yl}benzoic acid
  • InChIKey:MNICPKYMSKCYEN-UHFFFAOYSA-N
  • Molecular Formula:C25H16ClNO4
  • Molecular Weight:429.86
  • Hydrogen Bond Donor (HBD):1
  • Hydrogen Bond Acceptor (HBA):5
  • LogP:3.765
  • SMILES:OC(=O)c1cc(ccc1Cl)N1C(=O)C2C(C3c4ccccc4C2c2ccccc32)C1=O |TLB:24:23:21.16:13.14,27:28:21.16:13.14|
    SMILES:OC(=O)c1cc(ccc1Cl)N1C(=O)C2C(C3c4ccccc4C2c2ccccc32)C1=O |TLB:24:23:21.16:13.14,27:28:21.16:13.14|
  • 2-Chloro-5-(16,18-dioxo-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2,4,6,9,11,13-hexaen-17-yl)benzoic acid can be used to synthesize a variety of organic compounds.
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