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Organohalogen compounds
Description:
Organic compounds containing a bond between a carbon atom and a halogen atom (At, F, Cl, Br, I).
Ancestors:
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(2-Bromoethyl)cyclopentaneCas Number: 18928-94-4 Compound CID: 12711948Formula: C7H13Br Molecular Weight: 177.08IUPAC Name: 2-bromoethylcyclopentaneSMILES: C1CCC(C1)CCBrInChIKey: GYZRFKCNMIPTEI-UHFFFAOYSA-NInChI: InChI=1S/C7H13Br/c8-6-5-7-3-1-2-4-7/h7H,1-6H2 -
(2-Bromothiophen-3-yl)methanolCas Number: 70260-16-1 Compound CID: 12479010Formula: C5H5BrOSIUPAC Name: (2-bromothiophen-3-yl)methanolSMILES: C1=CSC(=C1CO)BrInChIKey: BOJYRNFSHPAZBL-UHFFFAOYSA-NInChI: InChI=1S/C5H5BrOS/c6-5-4(3-7)1-2-8-5/h1-2,7H,3H2
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5-Chloro-4H-1，2，4-triazol-3-amineCas Number: 130631-49-1 Compound CID: 4196493IUPAC Name: 5-chloro-1H-1,2,4-triazol-3-amineSMILES: C1(=NNC(=N1)Cl)NInChIKey: CZYCHLFFXNRBGV-UHFFFAOYSA-NInChI: InChI=1S/C2H3ClN4/c3-1-5-2(4)7-6-1/h(H3,4,5,6,7)
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5-Chloro-3-methyl-1,2,4-thiadiazoleCas Number: 21734-85-0 Compound CID: 12919159Formula: C3H3ClN2S Molecular Weight: 134.59IUPAC Name: 5-chloro-3-methyl-1,2,4-thiadiazoleSMILES: CC1=NSC(=N1)ClInChIKey: ILTLLMVRPBXCSX-UHFFFAOYSA-NInChI: InChI=1S/C3H3ClN2S/c1-2-5-3(4)7-6-2/h1H3
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5-Chloro-1-methyl-1H-pyrazole-4-carbonitrileCas Number: 111493-52-8 Compound CID: 14049145Formula: C5H4ClN3 Molecular Weight: 141.56IUPAC Name: 5-chloro-1-methylpyrazole-4-carbonitrileSMILES: CN1C(=C(C=N1)C#N)ClInChIKey: ALYKYQFBPPPPMI-UHFFFAOYSA-NInChI: InChI=1S/C5H4ClN3/c1-9-5(6)4(2-7)3-8-9/h3H,1H3
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5-CHLORO-1H-1，2，4-TRIAZOLE-3-CARBOXYLIC ACIDCas Number: 21733-03-9 Compound CID: 12007254Formula: C3H2ClN3O2 Molecular Weight: 147.52IUPAC Name: 5-chloro-1H-1,2,4-triazole-3-carboxylic acidSMILES: C1(=NNC(=N1)Cl)C(=O)OInChIKey: GDCBIQJUSRDOGR-UHFFFAOYSA-NInChI: InChI=1S/C3H2ClN3O2/c4-3-5-1(2(8)9)6-7-3/h(H,8,9)(H,5,6,7)
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5-Bromo-1，4-dimethyl-1H-1，2，3-triazoleCas Number: 1040275-55-5 Compound CID: 68559958Formula: C4H6BrN3 Molecular Weight: 176.01IUPAC Name: 5-bromo-1,4-dimethyltriazoleSMILES: CC1=C(N(N=N1)C)BrInChIKey: GAVNHCHZNVNYMQ-UHFFFAOYSA-NInChI: InChI=1S/C4H6BrN3/c1-3-4(5)8(2)7-6-3/h1-2H3
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5-Bromo-1-methyl-3-(trifluoromethyl)-1H-pyrazoleCas Number: 524740-42-9 Compound CID: 12035665Formula: C5H4BrF3N2 Molecular Weight: 229IUPAC Name: 5-bromo-1-methyl-3-(trifluoromethyl)pyrazoleSMILES: CN1C(=CC(=N1)C(F)(F)F)BrInChIKey: HBGAUXPKRSEUFW-UHFFFAOYSA-NInChI: InChI=1S/C5H4BrF3N2/c1-11-4(6)2-3(10-11)5(7,8)9/h2H,1H3
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5-Bromo-1H-pyrrole-2-carbonitrileCas Number: 36953-44-3 Compound CID: 70577839Formula: C5H3BrN2 Molecular Weight: 171IUPAC Name: 5-bromo-1H-pyrrole-2-carbonitrileSMILES: C1=C(NC(=C1)Br)C#NInChIKey: ICKKJIMPEICFGO-UHFFFAOYSA-NInChI: InChI=1S/C5H3BrN2/c6-5-2-1-4(3-7)8-5/h1-2,8H
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4-Oxo-CyclohexanesulfonylchlorideIUPAC Name: 4-oxocyclohexane-1-sulfonyl chlorideSMILES: C1CC(=O)CCC1S(=O)(=O)ClInChIKey: IJOOLKIYFVIJNU-UHFFFAOYSA-NInChI: InChI=1S/C6H9ClO3S/c7-11(9,10)6-3-1-5(8)2-4-6/h6H,1-4H2
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4-Iodo-1-isobutyl-1H-pyrazoleCas Number: 918487-09-9 Compound CID: 22042626Formula: C7H11IN2 Molecular Weight: 250.08IUPAC Name: 4-iodo-1-(2-methylpropyl)pyrazoleSMILES: CC(C)CN1C=C(C=N1)IInChIKey: PTARWFPVOYNYPY-UHFFFAOYSA-NInChI: InChI=1S/C7H11IN2/c1-6(2)4-10-5-7(8)3-9-10/h3,5-6H,4H2,1-2H3
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4-Iodo-1，5-dimethyl-1H-pyrazoleCas Number: 6647-96-7 Compound CID: 12383785Formula: C5H7IN2 Molecular Weight: 222.03IUPAC Name: 4-iodo-1,5-dimethylpyrazoleSMILES: CC1=C(C=NN1C)IInChIKey: QXAYSWMALOLASK-UHFFFAOYSA-NInChI: InChI=1S/C5H7IN2/c1-4-5(6)3-7-8(4)2/h3H,1-2H3
