小分子和化合物库
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1-(2-氯苯基)环丙胺盐酸盐CAS号: 1134699-45-8分子式: C9H11Cl2N 分子量: 204.1IUPAC Name: 1-(2-chlorophenyl)cyclopropan-1-amine;hydrochlorideSMILES: C1CC1(C2=CC=CC=C2Cl)N.ClInChIKey: ZWSHFWNTCCKFHL-UHFFFAOYSA-NInChI: 1S/C9H10ClN.ClH/c10-8-4-2-1-3-7(8)9(11)5-6-9;/h1-4H,5-6,11H2;1H
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5(6)-羧基六氯荧光素CAS号: 1166843-68-0 Compound CID : 132472405分子式: C42H12Cl12O14 分子量: 1165.94IUPAC Name: 2',4,4',5',7,7'-hexachloro-3',6'-dihydroxy-1-oxospiro[2-benzofuran-3,9'-xanthene]-5-carboxylic acid;2',4,4',5',7,7'-hexachloro-3',6'-dihydroxy-3-oxospiro[2-benzofuran-1,9'-xanthene]-5-carboxylic acidSMILES: C1=C(C(=C2C(=C1Cl)C(=O)OC23C4=CC(=C(C(=C4OC5=C(C(=C(C=C35)Cl)O)Cl)Cl)O)Cl)Cl)C(=O)O.C1=C(C(=C2C(=C1Cl)C3(C4=CC(=C(C(=C4OC5=C(C(=C(C=C53)Cl)O)Cl)Cl)O)Cl)OC2=O)Cl)C(=O)OInChIKey: IDBQIFUYJRVHOD-UHFFFAOYSA-NInChI: See more
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5-氯-2,4-二羟基苯甲醛CAS号: 131088-02-3分子式: C7H5ClO3 分子量: 172.57IUPAC Name: 5-chloro-2,4-dihydroxybenzaldehydeSMILES: C1=C(C(=CC(=C1Cl)O)O)C=OInChIKey: IPOSHVWRFQTHGK-UHFFFAOYSA-NInChI: 1S/C7H5ClO3/c8-5-1-4(3-9)6(10)2-7(5)11/h1-3,10-11H
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5-(氯磺酰基)-2-乙氧基苯甲酸CAS号: 200575-16-2分子式: C9H9ClO5S 分子量: 264.68IUPAC Name: 5-chlorosulfonyl-2-ethoxybenzoic acidSMILES: CCOC1=C(C=C(C=C1)S(=O)(=O)Cl)C(=O)OInChIKey: UHNRCKXZRULNSC-UHFFFAOYSA-NInChI: 1S/C9H9ClO5S/c1-2-15-8-4-3-6(16(10,13)14)5-7(8)9(11)12/h3-5H,2H2,1H3,(H,11,12)
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6-氯菲啶CAS号: 15679-03-5分子式: C13H8ClN 分子量: 213.66IUPAC Name: 6-chlorophenanthridineSMILES: C1=CC=C2C(=C1)C3=CC=CC=C3N=C2ClInChIKey: XHZTZKAXCPJABO-UHFFFAOYSA-NInChI: 1S/C13H8ClN/c14-13-11-7-2-1-5-9(11)10-6-3-4-8-12(10)15-13/h1-8H
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49 顺-2-(4-溴苯基)环丙烷-1-羧酸CAS号: 2137065-16-6分子式: C10H9BrO2 分子量: 241.08IUPAC Name: (1R,2S)-2-(4-bromophenyl)cyclopropane-1-carboxylic acidSMILES: C1C(C1C(=O)O)C2=CC=C(C=C2)BrInChIKey: DPBUJVBXRABXRH-RKDXNWHRSA-NInChI: 1S/C10H9BrO2/c11-7-3-1-6(2-4-7)8-5-9(8)10(12)13/h1-4,8-9H,5H2,(H,12,13)/t8-,9-/m1/s1
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1,1-二氯硅杂环戊烷CAS号: 2406-33-9分子式: C4H8Cl2Si 分子量: 155.098IUPAC Name: 1,1-dichlorosilolaneSMILES: C1CC[Si](C1)(Cl)ClInChIKey: YMXGMEIYEGUXGT-UHFFFAOYSA-NInChI: 1S/C4H8Cl2Si/c5-7(6)3-1-2-4-7/h1-4H2
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四对氯代苯基卟啉钴(II)CAS号: 55915-17-8 Compound CID : 146014641分子式: C44H24Cl4CoN4 分子量: 809.43IUPAC Name: cobalt(2+);5,10,15,20-tetrakis(4-chlorophenyl)porphyrin-22,24-diideSMILES: C1=CC(=CC=C1C2=C3C=CC(=C(C4=NC(=C(C5=CC=C([N-]5)C(=C6C=CC2=N6)C7=CC=C(C=C7)Cl)C8=CC=C(C=C8)Cl)C=C4)C9=CC=C(C=C9)Cl)[N-]3)Cl.[Co+2]InChIKey: PKXISVDTMYNEGS-UHFFFAOYSA-NInChI: See more
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2-氯-23-二甲基丁烷CAS号: 594-57-0分子式: C6H13Cl 分子量: 120.62IUPAC Name: 2-chloro-2,3-dimethylbutaneSMILES: CC(C)C(C)(C)ClInChIKey: HEMQRALQJLCVBR-UHFFFAOYSA-NInChI: 1S/C6H13Cl/c1-5(2)6(3,4)7/h5H,1-4H3
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6-氯吡啶酰氯CAS号: 80099-98-5分子式: C6H3Cl2NO 分子量: 176IUPAC Name: 6-chloropyridine-2-carbonyl chlorideSMILES: C1=CC(=NC(=C1)Cl)C(=O)ClInChIKey: INDXGKMKACLIJS-UHFFFAOYSA-NInChI: 1S/C6H3Cl2NO/c7-5-3-1-2-4(9-5)6(8)10/h1-3H
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