小分子和化合物库
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6-氯嘧啶-2(1H)-酮CAS号: 80927-55-5 Compound CID : 13244894分子式: C4H3ClN2O 分子量: 130.53IUPAC Name: 6-chloro-1H-pyrimidin-2-oneSMILES: C1=C(NC(=O)N=C1)ClInChIKey: KVHNGYWHLLJFNQ-UHFFFAOYSA-NInChI: 1S/C4H3ClN2O/c5-3-1-2-6-4(8)7-3/h1-2H,(H,6,7,8)
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3-氯丙基二甲基甲氧基硅烷CAS号: 18171-14-7分子式: C6H15ClOSi 分子量: 166.72IUPAC Name: 3-chloropropyl-methoxy-dimethylsilaneSMILES: CO[Si](C)(C)CCCClInChIKey: JTWDWVCNOLORBR-UHFFFAOYSA-NInChI: 1S/C6H15ClOSi/c1-8-9(2,3)6-4-5-7/h4-6H2,1-3H3
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1-异丙烯基-3-甲基苯CAS号: 1124-20-5分子式: C10H12 分子量: 132.2IUPAC Name: 1-methyl-3-prop-1-en-2-ylbenzeneSMILES: CC1=CC(=CC=C1)C(=C)CInChIKey: XXTQHVKTTBLFRI-UHFFFAOYSA-NInChI: 1S/C10H12/c1-8(2)10-6-4-5-9(3)7-10/h4-7H,1H2,2-3H3
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(46-二氯吡啶-2-基)甲醇CAS号: 1244949-68-5分子式: C5H4N2OCl2 分子量: 179IUPAC Name: (4,6-dichloropyrimidin-2-yl)methanolSMILES: C1=C(N=C(N=C1Cl)CO)ClInChIKey: NYUNBUWGWXSQGF-UHFFFAOYSA-NInChI: 1S/C5H4Cl2N2O/c6-3-1-4(7)9-5(2-10)8-3/h1,10H,2H2
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16-二溴异喹啉CAS号: 1254514-00-5分子式: C9H5Br2N 分子量: 286.95IUPAC Name: 1,6-dibromoisoquinolineSMILES: C1=CC2=C(C=CN=C2Br)C=C1BrInChIKey: UZACKZSZCGYJJJ-UHFFFAOYSA-NInChI: 1S/C9H5Br2N/c10-7-1-2-8-6(5-7)3-4-12-9(8)11/h1-5H
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(二甲基氨基)乙醛盐酸盐CAS号: 125969-54-2分子式: C4H10ClNO 分子量: 123.58IUPAC Name: 2-(dimethylamino)acetaldehyde;hydrochlorideSMILES: CN(C)CC=O.ClInChIKey: VUFMJROCMFQILX-UHFFFAOYSA-NInChI: 1S/C4H9NO.ClH/c1-5(2)3-4-6;/h4H,3H2,1-2H3;1H
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1617-二羟基蒽酮紫CAS号: 128-59-6分子式: C34H16O4 分子量: 488.5IUPAC Name: 30,34-dihydroxynonacyclo[18.10.2.22,5.03,16.04,13.06,11.017,31.022,27.028,32]tetratriaconta-1(30),2(34),3(16),4(13),5(33),6,8,10,14,17(31),18,20(32),22,24,26,28-hexadecaene-12,21-dioneSMILES: C1=CC=C2C(=C1)C3=CC(=C4C5=C(C=CC(=C35)C2=O)C6=C7C4=C(C=C8C7=C(C=C6)C(=O)C9=CC=CC=C98)O)OInChIKey: MGYICCKROPVHMA-UHFFFAOYSA-NInChI: 1S/C34H16O4/c35-25-13-23-15-5-1-3-7-19(15)33(37)21-11-9-17-18-10-12-22-28-24(16-6-2-4-8-20(16)34(22)38)14-26(36)32(30(18)28)31(25)29(17)27(21)23/h1-14,35-36H
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2-(2-溴乙基)环氧乙烷CAS号: 13287-42-8分子式: C4H7BrO 分子量: 151IUPAC Name: 2-(2-bromoethyl)oxiraneSMILES: C1C(O1)CCBrInChIKey: ZKODPGZNBMIZFX-UHFFFAOYSA-NInChI: 1S/C4H7BrO/c5-2-1-4-3-6-4/h4H,1-3H2
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4-羟基苄胺水合物CAS号: 2006278-39-1分子式: C7H11NO2 分子量: 141.17IUPAC Name: 4-(aminomethyl)phenol;hydrateSMILES: C1=CC(=CC=C1CN)O.OInChIKey: PHUGFJQJJCDBFX-UHFFFAOYSA-NInChI: 1S/C7H9NO.H2O/c8-5-6-1-3-7(9)4-2-6;/h1-4,9H,5,8H2;1H2
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