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Halobenzenes
Description:
Aromatic compounds containing a halogen atom linked to a benzene ring.
Ancestors:
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PropiconazoleCas Number: 60207-90-1 EC Number: 262-104-4Formula: C15H17Cl2N3O2 Molecular Weight: 342.22IUPAC Name: 1-[[2-(2,4-dichlorophenyl)-4-propyl-1,3-dioxolan-2-yl]methyl]-1,2,4-triazoleSMILES: CCCC1COC(O1)(CN2C=NC=N2)C3=C(C=C(C=C3)Cl)ClInChIKey: STJLVHWMYQXCPB-UHFFFAOYSA-NInChI: InChI=1S/C15H17Cl2N3O2/c1-2-3-12-7-21-15(22-12,8-20-10-18-9-19-20)13-5-4-11(16)6-14(13)17/h4-6,9-10,12H,2-3,7-8H2,1H3
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tert-Butyl ((2R,3S)-2-(2,5-difluorophenyl)-5-hydroxytetrahydro-2H-pyran-3-yl)carbamateCas Number: 1172623-99-2 Compound CID: 86713019IUPAC Name: tert-butyl N-[(2R,3S)-2-(2,5-difluorophenyl)-5-hydroxyoxan-3-yl]carbamateSMILES: CC(C)(C)OC(=O)NC1CC(COC1C2=C(C=CC(=C2)F)F)OInChIKey: RYDSJJXCDQFTKF-INPHSSGZSA-NInChI: InChI=1S/C16H21F2NO4/c1-16(2,3)23-15(21)19-13-7-10(20)8-22-14(13)11-6-9(17)4-5-12(11)18/h4-6,10,13-14,20H,7-8H2,1-3H3,(H,19,21)/t10?,13-,14+/m0/s1
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potassium (3-chloro-4-fluorophenyl)(trifluoro)borate(1-)Cas Number: 850623-59-5 Compound CID: 23716863Formula: C6H3BClF4K Molecular Weight: 236.44IUPAC Name: potassium;(3-chloro-4-fluorophenyl)-trifluoroboranuideSMILES: [B-](C1=CC(=C(C=C1)F)Cl)(F)(F)F.[K+]InChIKey: YIBSBTTVMHWMNU-UHFFFAOYSA-NInChI: InChI=1S/C6H3BClF4.K/c8-5-3-4(7(10,11)12)1-2-6(5)9;/h1-3H;/q-1;+1
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Potassium (3,5-difluorophenyl)trifluoroborateCas Number: 267006-26-8 Compound CID: 23681893Formula: C6H3BF5K Molecular Weight: 219.99IUPAC Name: potassium;(3,5-difluorophenyl)-trifluoroboranuideSMILES: [B-](C1=CC(=CC(=C1)F)F)(F)(F)F.[K+]InChIKey: JFSPHPHYZHGKPO-UHFFFAOYSA-NInChI: InChI=1S/C6H3BF5.K/c8-5-1-4(7(10,11)12)2-6(9)3-5;/h1-3H;/q-1;+1
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Ethyl 5-(4-bromophenyl)-1,3,4-oxadiazole-2-carboxylateCas Number: 931760-32-6 Compound CID: 22432737Formula: C11H9BrN2O3 Molecular Weight: 297.1IUPAC Name: ethyl 5-(4-bromophenyl)-1,3,4-oxadiazole-2-carboxylateSMILES: CCOC(=O)C1=NN=C(O1)C2=CC=C(C=C2)BrInChIKey: ZOZDFQUVDQQEMJ-UHFFFAOYSA-NInChI: InChI=1S/C11H9BrN2O3/c1-2-16-11(15)10-14-13-9(17-10)7-3-5-8(12)6-4-7/h3-6H,2H2,1H3
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Cyclopropanemethanamine, 1-(3-chlorophenyl)-Cas Number: 115816-31-4 Compound CID: 15611174Formula: C10H12NCl Molecular Weight: 181.66IUPAC Name: [1-(3-chlorophenyl)cyclopropyl]methanamineSMILES: C1CC1(CN)C2=CC(=CC=C2)ClInChIKey: PCAQCRJAVGXMQF-UHFFFAOYSA-NInChI: InChI=1S/C10H12ClN/c11-9-3-1-2-8(6-9)10(7-12)4-5-10/h1-3,6H,4-5,7,12H2
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Cyclopropanemethanol,1-(4-chlorophenyl)-Cas Number: 80866-81-5 Compound CID: 2724020Formula: C10H11ClO Molecular Weight: 182.64IUPAC Name: [1-(4-chlorophenyl)cyclopropyl]methanolSMILES: C1CC1(CO)C2=CC=C(C=C2)ClInChIKey: BGZFRSZKNNOKSW-UHFFFAOYSA-NInChI: InChI=1S/C10H11ClO/c11-9-3-1-8(2-4-9)10(7-12)5-6-10/h1-4,12H,5-7H2
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ALPHA-(2,4-DICHLOROPHENYL)-1H-1,2,4-TRIAZOLE-1-ETHANOLCas Number: 58905-18-3Formula: C10H9Cl2N3O Molecular Weight: 258.104SMILES: C1=CC(=C(C=C1Cl)Cl)C(CN2C=NC=N2)OInChIKey: XCWJBJOPHSVLGU-UHFFFAOYSA-NInChI: InChI=1S/C10H9Cl2N3O/c11-7-1-2-8(9(12)3-7)10(16)4-15-6-13-5-14-15/h1-3,5-6,10,16H,4H2
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A-967079Cas Number: 1170613-55-4 Compound CID: 42641861Formula: C12H14FNO Molecular Weight: 207.24IUPAC Name: (NE)-N-[(E)-1-(4-fluorophenyl)-2-methylpent-1-en-3-ylidene]hydroxylamineSMILES: CCC(=NO)C(=CC1=CC=C(C=C1)F)CInChIKey: HKROEBDHHKMNBZ-CHBKHGQFSA-NInChI: InChI=1S/C12H14FNO/c1-3-12(14-15)9(2)8-10-4-6-11(13)7-5-10/h4-8,15H,3H2,1-2H3/b9-8+,14-12+
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2-Amino-5-(4-Chlorophenyl)-1,3,4-ThiadiazoleCas Number: 28004-62-8 Compound CID: 668392Formula: C8H6ClN3S Molecular Weight: 211.67IUPAC Name: 5-(4-chlorophenyl)-1,3,4-thiadiazol-2-amineSMILES: C1=CC(=CC=C1C2=NN=C(S2)N)ClInChIKey: OAVULPOOAHQYDZ-UHFFFAOYSA-NInChI: InChI=1S/C8H6ClN3S/c9-6-3-1-5(2-4-6)7-11-12-8(10)13-7/h1-4H,(H2,10,12)Synonyms: 5-(4-Chlorophenyl)-1,3,4-thiadiazol-2-amine
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4,5-DICHLORO-2-(3,5-DICHLOROPHENYL)-2,3-DIHYDROPYRIDAZIN-3-ONECas Number: 86483-43-4Formula: C10H4Cl4N2O Molecular Weight: 309.9636SMILES: C1=C(C=C(C=C1Cl)Cl)N2C(=O)C(=C(C=N2)Cl)ClInChIKey: UBKUOBNFCOTJAD-UHFFFAOYSA-NInChI: InChI=1S/C10H4Cl4N2O/c11-5-1-6(12)3-7(2-5)16-10(17)9(14)8(13)4-15-16/h1-4H
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4-(3-chlorophenyl)tetrahydro-2H-pyran-4-carbonitrileCas Number: 473706-22-8Formula: C12H12ClNO Molecular Weight: 221.68SMILES: C1COCCC1(C#N)C2=CC(=CC=C2)ClInChIKey: IGYRKNZKSDWJLM-UHFFFAOYSA-NInChI: InChI=1S/C12H12ClNO/c13-11-3-1-2-10(8-11)12(9-14)4-6-15-7-5-12/h1-3,8H,4-7H2
