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Isoindoles and derivatives
Description:
Polycyclic compounds containing an isoindole moiety, which is structurally characterized by a cyclohexadiene fused to a pyrrole ring.
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4，6-Dichloroisoindolin-1-OneCas Number: 74572-30-8 Compound CID: 21162376Formula: C8H5Cl2NO Molecular Weight: 202.03IUPAC Name: 4,6-dichloro-2,3-dihydroisoindol-1-oneSMILES: C1C2=C(C=C(C=C2Cl)Cl)C(=O)N1InChIKey: QQNMVGPIDSWXTK-UHFFFAOYSA-NInChI: InChI=1S/C8H5Cl2NO/c9-4-1-5-6(7(10)2-4)3-11-8(5)12/h1-2H,3H2,(H,11,12) -
4-Methylisoindolin-1-oneCas Number: 65399-01-1 Compound CID: 22064683Formula: C9H9NO Molecular Weight: 147.17IUPAC Name: 4-methyl-2,3-dihydroisoindol-1-oneSMILES: CC1=C2CNC(=O)C2=CC=C1InChIKey: BXUBVWIYNGVGNT-UHFFFAOYSA-NInChI: InChI=1S/C9H9NO/c1-6-3-2-4-7-8(6)5-10-9(7)11/h2-4H,5H2,1H3,(H,10,11)
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4-Fluoroisoindoline-1，3-dioneCas Number: 51108-29-3 Compound CID: 22064632Formula: C8H4FNO2 Molecular Weight: 165.12IUPAC Name: 4-fluoroisoindole-1,3-dioneSMILES: C1=CC2=C(C(=C1)F)C(=O)NC2=OInChIKey: ROFGDCOBISHGRK-UHFFFAOYSA-NInChI: InChI=1S/C8H4FNO2/c9-5-3-1-2-4-6(5)8(12)10-7(4)11/h1-3H,(H,10,11,12)
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4-ChloroisoindolineCas Number: 123594-04-7 Compound CID: 14795868Formula: C8H8NCl Molecular Weight: 153.6IUPAC Name: 4-chloro-2,3-dihydro-1H-isoindoleSMILES: C1C2=C(CN1)C(=CC=C2)ClInChIKey: XYHJVLXLZOTUKL-UHFFFAOYSA-NInChI: InChI=1S/C8H8ClN/c9-8-3-1-2-6-4-10-5-7(6)8/h1-3,10H,4-5H2
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4-Bromo-7-nitroisoindolin-1-oneCas Number: 765948-99-0 Compound CID: 21907557Formula: C8H5BrN2O3 Molecular Weight: 257.04IUPAC Name: 4-bromo-7-nitro-2,3-dihydroisoindol-1-oneSMILES: C1C2=C(C=CC(=C2C(=O)N1)[N+](=O)[O-])BrInChIKey: WQYRRWFXNSLCHC-UHFFFAOYSA-NInChI: InChI=1S/C8H5BrN2O3/c9-5-1-2-6(11(13)14)7-4(5)3-10-8(7)12/h1-2H,3H2,(H,10,12)
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4-Bromo-6-hydroxyisoindolin-1-oneCas Number: 808127-76-6 Compound CID: 21907535Formula: C8H6BrNO2 Molecular Weight: 228.05IUPAC Name: 4-bromo-6-hydroxy-2,3-dihydroisoindol-1-oneSMILES: C1C2=C(C=C(C=C2Br)O)C(=O)N1InChIKey: BQPRSUFYMWPKEI-UHFFFAOYSA-NInChI: InChI=1S/C8H6BrNO2/c9-7-2-4(11)1-5-6(7)3-10-8(5)12/h1-2,11H,3H2,(H,10,12)
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4-(Trifluoromethyl)isoindolineCas Number: 1086395-63-2 Compound CID: 19691992Formula: C9H8F3N Molecular Weight: 187.16IUPAC Name: 4-(trifluoromethyl)-2,3-dihydro-1H-isoindoleSMILES: C1C2=C(CN1)C(=CC=C2)C(F)(F)FInChIKey: GEPUADVOHGHQBZ-UHFFFAOYSA-NInChI: InChI=1S/C9H8F3N/c10-9(11,12)8-3-1-2-6-4-13-5-7(6)8/h1-3,13H,4-5H2
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4-(Trifluoromethyl)isoindoline hydrochlorideCas Number: 1203686-59-2 Compound CID: 67486328Formula: C9H9ClF3N Molecular Weight: 223.62IUPAC Name: 4-(trifluoromethyl)-2,3-dihydro-1H-isoindole;hydrochlorideSMILES: C1C2=C(CN1)C(=CC=C2)C(F)(F)F.ClInChIKey: XTPDOTXDUZRPAQ-UHFFFAOYSA-NInChI: InChI=1S/C9H8F3N.ClH/c10-9(11,12)8-3-1-2-6-4-13-5-7(6)8;/h1-3,13H,4-5H2;1H
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3-Methylisoindolin-1-oneCas Number: 6091-76-5 Compound CID: 11286552Formula: C9H9NOIUPAC Name: 3-methyl-2,3-dihydroisoindol-1-oneSMILES: CC1C2=CC=CC=C2C(=O)N1InChIKey: VNPWIDIVQOFLQS-UHFFFAOYSA-NInChI: InChI=1S/C9H9NO/c1-6-7-4-2-3-5-8(7)9(11)10-6/h2-6H,1H3,(H,10,11)
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2，3-Dihydro-1H-Isoindole-5-Carboxylic AcidCas Number: 685084-08-6 Compound CID: 21222211IUPAC Name: 2,3-dihydro-1H-isoindole-5-carboxylic acidSMILES: C1C2=C(CN1)C=C(C=C2)C(=O)OInChIKey: BYVHWRKMSXVVAM-UHFFFAOYSA-NInChI: InChI=1S/C9H9NO2/c11-9(12)6-1-2-7-4-10-5-8(7)3-6/h1-3,10H,4-5H2,(H,11,12)
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2-Methyl-4-(4，4，5，5-tetramethyl-1，3，2-dioxaborolan-2-yl)isoindolin-1-oneCas Number: 1221239-09-3 Compound CID: 53407631Formula: C15H20BNO3 Molecular Weight: 273.14IUPAC Name: 2-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3H-isoindol-1-oneSMILES: B1(OC(C(O1)(C)C)(C)C)C2=C3CN(C(=O)C3=CC=C2)CInChIKey: IAKVXXCASRMULQ-UHFFFAOYSA-NInChI: InChI=1S/C15H20BNO3/c1-14(2)15(3,4)20-16(19-14)12-8-6-7-10-11(12)9-17(5)13(10)18/h6-8H,9H2,1-5H3
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2-Benzyl-5-bromoisoindoline hydrochlorideCas Number: 1187830-70-1 Compound CID: 56776979Formula: C15H15BrClN Molecular Weight: 324.66IUPAC Name: 2-benzyl-5-bromo-1,3-dihydroisoindole;hydrochlorideSMILES: C1C2=C(CN1CC3=CC=CC=C3)C=C(C=C2)Br.ClInChIKey: WZYCLORMOXDGHP-UHFFFAOYSA-NInChI: InChI=1S/C15H14BrN.ClH/c16-15-7-6-13-10-17(11-14(13)8-15)9-12-4-2-1-3-5-12;/h1-8H,9-11H2;1H
