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卤代杂环
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2-氨基-4-氯嘧啶CAS号 : 3993-78-0分子式: C4H4ClN3 分子量: 129.55IUPAC Name: 4-chloropyrimidin-2-amineSMILES: C1=CN=C(N=C1Cl)NInChIKey: DBGFGNCFYUNXLD-UHFFFAOYSA-NInChI: InChI=1S/C4H4ClN3/c5-3-1-2-7-4(6)8-3/h1-2H,(H2,6,7,8)
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5-氨基甲基-2-氯吡啶CAS号 : 97004-04-1分子式: C6H7ClN2 分子量: 142.59IUPAC Name: (6-chloropyridin-3-yl)methanamineSMILES: C1=CC(=NC=C1CN)ClInChIKey: XPARFBOWIYMLMY-UHFFFAOYSA-NInChI: InChI=1S/C6H7ClN2/c7-6-2-1-5(3-8)4-9-6/h1-2,4H,3,8H2
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2-氨基-6-氯嘌呤CAS号 : 10310-21-1分子式: C5H4ClN5 分子量: 169.57IUPAC Name: 6-chloro-7H-purin-2-amineSMILES: C1=NC2=C(N1)C(=NC(=N2)N)ClInChIKey: RYYIULNRIVUMTQ-UHFFFAOYSA-NInChI: InChI=1S/C5H4ClN5/c6-3-2-4(9-1-8-2)11-5(7)10-3/h1H,(H3,7,8,9,10,11)
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2-氨基-3-溴-5-氟吡啶CAS号 : 869557-43-7分子式: C5H4BrFN2 分子量: 191IUPAC Name: 3-bromo-5-fluoropyridin-2-amineSMILES: C1=C(C=NC(=C1Br)N)FInChIKey: KXSQMCRVUAALNE-UHFFFAOYSA-NInChI: InChI=1S/C5H4BrFN2/c6-4-1-3(7)2-9-5(4)8/h1-2H,(H2,8,9)
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5-氯吡嗪-2-羧酸甲酯CAS号 : 33332-25-1分子式: C6H5ClN2O2 分子量: 172.57IUPAC Name: methyl 5-chloropyrazine-2-carboxylateSMILES: COC(=O)C1=CN=C(C=N1)ClInChIKey: CVVMLRFXZPKILB-UHFFFAOYSA-NInChI: InChI=1S/C6H5ClN2O2/c1-11-6(10)4-2-9-5(7)3-8-4/h2-3H,1H3
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3,4-二氟苯甲酸甲酯CAS号 : 369-25-5分子式: F2C6H3CO2CH3 分子量: 172.13IUPAC Name: methyl 3,4-difluorobenzoateSMILES: COC(=O)C1=CC(=C(C=C1)F)FInChIKey: DWRVHDWKWKFSAI-UHFFFAOYSA-NInChI: InChI=1S/C8H6F2O2/c1-12-8(11)5-2-3-6(9)7(10)4-5/h2-4H,1H3
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2,6-二氯吡啶-4-羧酸甲酯CAS号 : 42521-09-5分子式: C7H5Cl2NO2 分子量: 206.03IUPAC Name: methyl 2,6-dichloropyridine-4-carboxylateSMILES: COC(=O)C1=CC(=NC(=C1)Cl)ClInChIKey: XSKGHSUHOYEBTK-UHFFFAOYSA-NInChI: InChI=1S/C7H5Cl2NO2/c1-12-7(11)4-2-5(8)10-6(9)3-4/h2-3H,1H3
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2,6-二氟苯甲酸甲酯CAS号 : 13671-00-6分子式: F2C6H3CO2CH3 分子量: 172.13IUPAC Name: methyl 2,6-difluorobenzoateSMILES: COC(=O)C1=C(C=CC=C1F)FInChIKey: QNPFLTKQLFSKBY-UHFFFAOYSA-NInChI: InChI=1S/C8H6F2O2/c1-12-8(11)7-5(9)3-2-4-6(7)10/h2-4H,1H3
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4-甲氧基-3-三氟甲基苯胺CAS号 : 393-15-7分子式: C8H8F3NO 分子量: 191.15IUPAC Name: 4-methoxy-3-(trifluoromethyl)anilineSMILES: COC1=C(C=C(C=C1)N)C(F)(F)FInChIKey: CQJCPOVTPNWVBW-UHFFFAOYSA-NInChI: InChI=1S/C8H8F3NO/c1-13-7-3-2-5(12)4-6(7)8(9,10)11/h2-4H,12H2,1H3
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3-氯苯并噻吩-2-羧酸甲酯CAS号 : 21211-07-4分子式: C10H7ClO2S 分子量: 226.68IUPAC Name: methyl 3-chloro-1-benzothiophene-2-carboxylateSMILES: COC(=O)C1=C(C2=CC=CC=C2S1)ClInChIKey: VAPMGETZRJYSLW-UHFFFAOYSA-NInChI: InChI=1S/C10H7ClO2S/c1-13-10(12)9-8(11)6-4-2-3-5-7(6)14-9/h2-5H,1H3
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九氟丁基磺酸酐CAS号 : 36913-91-4分子式: (CF3(CF2)3SO2)2O 分子量: 582.18IUPAC Name: 1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonateSMILES: C(C(C(F)(F)S(=O)(=O)OS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(C(F)(F)F)(F)FInChIKey: QKIHLPFZYGFMDK-UHFFFAOYSA-NInChI: InChI=1S/C8F18O5S2/c9-1(10,5(17,18)19)3(13,14)7(23,24)32(27,28)31-33(29,30)8(25,26)4(15,16)2(11,12)6(20,21)22
