小分子和化合物库
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10-Cl-BBQCAS号 : 23982-76-5分子式: C18H9ClN2O 分子量: 304.73IUPAC Name: 7-chloro-3,10-diazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(19),2,4(9),5,7,12,14,16(20),17-nonaen-11-oneSMILES: C1=CC2=C3C(=C1)C4=NC5=C(N4C(=O)C3=CC=C2)C=C(C=C5)ClInChIKey: ZJESJVGSDQOZAT-UHFFFAOYSA-NInChI: InChI=1S/C18H9ClN2O/c19-11-7-8-14-15(9-11)21-17(20-14)12-5-1-3-10-4-2-6-13(16(10)12)18(21)22/h1-9H
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1,2,7,8-Tetrachlorodibenzo-P-dioxinCAS号 : 34816-53-0 Compound CID : 36934分子式: C12H4Cl4O2 分子量: 322IUPAC Name: 1,2,7,8-tetrachlorodibenzo-p-dioxinSMILES: C1=CC(=C(C2=C1OC3=CC(=C(C=C3O2)Cl)Cl)Cl)ClInChIKey: YDZCLBKUTXYYKS-UHFFFAOYSA-NInChI: InChI=1S/C12H4Cl4O2/c13-5-1-2-8-12(11(5)16)18-10-4-7(15)6(14)3-9(10)17-8/h1-4H
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1,3,7,8-Tetrachlorodibenzo-P-dioxinCAS号 : 50585-46-1 Compound CID : 39732分子式: C12H4Cl4O2 分子量: 322IUPAC Name: 1,3,7,8-tetrachlorodibenzo-p-dioxinSMILES: C1=C(C=C(C2=C1OC3=CC(=C(C=C3O2)Cl)Cl)Cl)ClInChIKey: VPTDIAYLYJBYQG-UHFFFAOYSA-NInChI: InChI=1S/C12H4Cl4O2/c13-5-1-8(16)12-11(2-5)17-9-3-6(14)7(15)4-10(9)18-12/h1-4H
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1,2,3,7,9-PentachlorodibenzofuranCAS号 : 83704-53-4 Compound CID : 55133分子式: C12H3Cl5O 分子量: 340.4IUPAC Name: 1,2,3,7,9-pentachlorodibenzofuranSMILES: C1=C(C=C(C2=C1OC3=CC(=C(C(=C32)Cl)Cl)Cl)Cl)ClInChIKey: JVUSEQPOWCBYNG-UHFFFAOYSA-NInChI: InChI=1S/C12H3Cl5O/c13-4-1-5(14)9-7(2-4)18-8-3-6(15)11(16)12(17)10(8)9/h1-3H
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1,2,3,7,8-PentachlorodibenzofuranCAS号 : 57117-41-6 Compound CID : 42138分子式: C12H3Cl5O 分子量: 340.4IUPAC Name: 1,2,3,7,8-pentachlorodibenzofuranSMILES: C1=C2C(=CC(=C1Cl)Cl)OC3=CC(=C(C(=C23)Cl)Cl)ClInChIKey: SBMIVUVRFPGOEB-UHFFFAOYSA-NInChI: InChI=1S/C12H3Cl5O/c13-5-1-4-8(2-6(5)14)18-9-3-7(15)11(16)12(17)10(4)9/h1-3H
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2,3,7-Trichlorodibenzo-P-dioxinCAS号 : 33857-28-2 Compound CID : 36614分子式: C12H5Cl3O2 分子量: 287.5IUPAC Name: 2,3,7-trichlorodibenzo-p-dioxinSMILES: C1=CC2=C(C=C1Cl)OC3=CC(=C(C=C3O2)Cl)ClInChIKey: ZSIZNEVHVVRPFF-UHFFFAOYSA-NInChI: InChI=1S/C12H5Cl3O2/c13-6-1-2-9-10(3-6)17-12-5-8(15)7(14)4-11(12)16-9/h1-5H
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6,9-Dimethyl-6H-indolo[2,3-b]quinoxalineCAS号 : 161224-92-6 Compound CID : 2938340分子式: C16H13N3 分子量: 247.29IUPAC Name: 6,9-dimethylindolo[3,2-b]quinoxalineSMILES: CC1=CC2=C(C=C1)N(C3=NC4=CC=CC=C4N=C23)CInChIKey: CMCFXZHCNYNTKD-UHFFFAOYSA-NInChI: InChI=1S/C16H13N3/c1-10-7-8-14-11(9-10)15-16(19(14)2)18-13-6-4-3-5-12(13)17-15/h3-9H,1-2H3
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5-bromo-N~4~-(4-chlorophenyl)-6-methyl-2,4-pyrimidinediamine分子式: C11H10BrClN4 分子量: 313.58IUPAC Name: 5-bromo-4-N-(4-chlorophenyl)-6-methylpyrimidine-2,4-diamineSMILES: CC1=C(C(=NC(=N1)N)NC2=CC=C(C=C2)Cl)BrInChIKey: WLUWADRUYNDGJO-UHFFFAOYSA-NInChI: InChI=1S/C11H10BrClN4/c1-6-9(12)10(17-11(14)15-6)16-8-4-2-7(13)3-5-8/h2-5H,1H3,(H3,14,15,16,17)
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