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Isoindolones
Description:
Aromatic polycyclic compounds that an isoindole bearing a ketone.
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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) -
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-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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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-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-(4-Oxocyclohexylmethyl)isoindole-1，3-dioneCas Number: 423116-18-1 Compound CID: 22633618IUPAC Name: 2-[(4-oxocyclohexyl)methyl]isoindole-1,3-dioneSMILES: C1CC(=O)CCC1CN2C(=O)C3=CC=CC=C3C2=OInChIKey: CIXKYGZRROIQLQ-UHFFFAOYSA-NInChI: InChI=1S/C15H15NO3/c17-11-7-5-10(6-8-11)9-16-14(18)12-3-1-2-4-13(12)15(16)19/h1-4,10H,5-9H2
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2-(4-Hydroxybutyl)isoindoline-1，3-dioneCas Number: 24697-70-9 Compound CID: 11117528Formula: C12H13NO3 Molecular Weight: 219.24IUPAC Name: 2-(4-hydroxybutyl)isoindole-1,3-dioneSMILES: C1=CC=C2C(=C1)C(=O)N(C2=O)CCCCOInChIKey: FWNCNQDIENYPDJ-UHFFFAOYSA-NInChI: InChI=1S/C12H13NO3/c14-8-4-3-7-13-11(15)9-5-1-2-6-10(9)12(13)16/h1-2,5-6,14H,3-4,7-8H2
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2-(3-Aminopropyl)isoindoline-1，3-dione hydrochlorideCas Number: 121821-01-0 Compound CID: 14374493Formula: C11H12N2O2•HCl Molecular Weight: 240.68IUPAC Name: 2-(3-aminopropyl)isoindole-1,3-dione;hydrochlorideSMILES: C1=CC=C2C(=C1)C(=O)N(C2=O)CCCN.ClInChIKey: GEFZFHTWRMQGOO-UHFFFAOYSA-NInChI: InChI=1S/C11H12N2O2.ClH/c12-6-3-7-13-10(14)8-4-1-2-5-9(8)11(13)15;/h1-2,4-5H,3,6-7,12H2;1H
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2-(2，4-Dinitro-phenoxy)-isoindole-1，3-dioneCas Number: 60506-35-6 Compound CID: 7036309Formula: C14H7N3O7 Molecular Weight: 329.22IUPAC Name: 2-(2,4-dinitrophenoxy)isoindole-1,3-dioneSMILES: C1=CC=C2C(=C1)C(=O)N(C2=O)OC3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]InChIKey: FQMFEIJLRJXTSK-UHFFFAOYSA-NInChI: InChI=1S/C14H7N3O7/c18-13-9-3-1-2-4-10(9)14(19)15(13)24-12-6-5-8(16(20)21)7-11(12)17(22)23/h1-7H
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2-((6-Chloropyridin-3-yl)methyl)isoindoline-1，3-dioneCas Number: 120739-60-8 Compound CID: 14324713Formula: C14H9ClN2O2 Molecular Weight: 272.68IUPAC Name: 2-[(6-chloropyridin-3-yl)methyl]isoindole-1,3-dioneSMILES: C1=CC=C2C(=C1)C(=O)N(C2=O)CC3=CN=C(C=C3)ClInChIKey: VJWRGOSBPDZVMI-UHFFFAOYSA-NInChI: InChI=1S/C14H9ClN2O2/c15-12-6-5-9(7-16-12)8-17-13(18)10-3-1-2-4-11(10)14(17)19/h1-7H,8H2
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(R)-3-Methylisoindolin-1-oneCas Number: 131615-22-0 Compound CID: 10582918Formula: C9H9NO Molecular Weight: 147.17IUPAC Name: (3R)-3-methyl-2,3-dihydroisoindol-1-oneSMILES: CC1C2=CC=CC=C2C(=O)N1InChIKey: VNPWIDIVQOFLQS-ZCFIWIBFSA-NInChI: InChI=1S/C9H9NO/c1-6-7-4-2-3-5-8(7)9(11)10-6/h2-6H,1H3,(H,10,11)/t6-/m1/s1
