小分子和化合物库
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6-溴苯并吡喃-2-酮CAS号: 20921-00-0分子式: C9H7BrO2 分子量: 227.05IUPAC Name: 6-bromo-3,4-dihydrochromen-2-oneSMILES: C1CC(=O)OC2=C1C=C(C=C2)BrInChIKey: FFZQWUVOIMYRKC-UHFFFAOYSA-NInChI: 1S/C9H7BrO2/c10-7-2-3-8-6(5-7)1-4-9(11)12-8/h2-3,5H,1,4H2
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42 22-二氟-2-(4-(三氟甲氧基)苯基)乙酸CAS号: 1112044-47-9分子式: C9H5F5O3 分子量: 256.13IUPAC Name: 2,2-difluoro-2-[4-(trifluoromethoxy)phenyl]acetic acidSMILES: C1=CC(=CC=C1C(C(=O)O)(F)F)OC(F)(F)FInChIKey: KHUVKUWYAVSZQD-UHFFFAOYSA-NInChI: 1S/C9H5F5O3/c10-8(11,7(15)16)5-1-3-6(4-2-5)17-9(12,13)14/h1-4H,(H,15,16)
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39 2-(4-氰基苯基)环丙烷-1-羧酸乙酯CAS号: 132145-60-9分子式: C13H13NO2 分子量: 215.25IUPAC Name: ethyl (1R,2R)-2-(4-cyanophenyl)cyclopropane-1-carboxylateSMILES: CCOC(=O)C1CC1C2=CC=C(C=C2)C#NInChIKey: QWCIETZJHLAWCB-NWDGAFQWSA-NInChI: 1S/C13H13NO2/c1-2-16-13(15)12-7-11(12)10-5-3-9(8-14)4-6-10/h3-6,11-12H,2,7H2,1H3/t11-,12+/m0/s1
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氮化铌CAS号: 24621-21-4分子式: NbN 分子量: 106.92IUPAC Name: azanylidyneniobiumSMILES: N#[Nb]InChIKey: CFJRGWXELQQLSA-UHFFFAOYSA-NInChI: 1S/N.Nb
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90 反式-2-(34-二氟苯基)环丙烷-1-羧酸CAS号: 1006614-50-1 Compound CID : 9834218分子式: C10H8F2O2 分子量: 198.17IUPAC Name: (1R,2R)-2-(3,4-difluorophenyl)cyclopropane-1-carboxylic acidSMILES: C1C(C1C(=O)O)C2=CC(=C(C=C2)F)FInChIKey: CSLVZAGSOJLXCT-NKWVEPMBSA-NInChI: 1S/C10H8F2O2/c11-8-2-1-5(3-9(8)12)6-4-7(6)10(13)14/h1-3,6-7H,4H2,(H,13,14)/t6-,7+/m0/s1
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