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Toluenes
Description:
Compounds containing a benzene ring which bears a methane group.
Ancestors:
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5-(o-Tolyl)-1,3,4-oxadiazole-2-thiolCas Number: 2503-66-4 Compound CID: 774385Formula: C9H8N2OS Molecular Weight: 192.24IUPAC Name: 5-(2-methylphenyl)-3H-1,3,4-oxadiazole-2-thioneSMILES: CC1=CC=CC=C1C2=NNC(=S)O2InChIKey: HNFIJWNVPWXSOL-UHFFFAOYSA-NInChI: InChI=1S/C9H8N2OS/c1-6-4-2-3-5-7(6)8-10-11-9(13)12-8/h2-5H,1H3,(H,11,13) -
2，4-Diiodo-6-methylanilineCas Number: 117832-09-4 Compound CID: 11337307Formula: C7H7I2N Molecular Weight: 358.95IUPAC Name: 2,4-diiodo-6-methylanilineSMILES: CC1=CC(=CC(=C1N)I)IInChIKey: XVXCBRYCMVVHRA-UHFFFAOYSA-NInChI: InChI=1S/C7H7I2N/c1-4-2-5(8)3-6(9)7(4)10/h2-3H,10H2,1H3
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2-IODO-6-METHYLANILINECas Number: 832133-11-6 Compound CID: 11817141Formula: C7H8IN Molecular Weight: 233.05IUPAC Name: 2-iodo-6-methylanilineSMILES: CC1=C(C(=CC=C1)I)NInChIKey: JJYIGUPWQAFKQH-UHFFFAOYSA-NInChI: InChI=1S/C7H8IN/c1-5-3-2-4-6(8)7(5)9/h2-4H,9H2,1H3
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2-Bromo-4-fluoro-5-methylanilineCas Number: 1065076-39-2 Compound CID: 20747452Formula: C7H7NFBr Molecular Weight: 204.03IUPAC Name: 2-bromo-4-fluoro-5-methylanilineSMILES: CC1=CC(=C(C=C1F)Br)NInChIKey: TVGJGCSBDAWDTG-UHFFFAOYSA-NInChI: InChI=1S/C7H7BrFN/c1-4-2-7(10)5(8)3-6(4)9/h2-3H,10H2,1H3
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1-tosyl-2，3，6，7-tetrahydro-1H-azepineCas Number: 57502-57-5 Compound CID: 11459392Formula: C13H17NO2S Molecular Weight: 251.35IUPAC Name: 1-(4-methylphenyl)sulfonyl-2,3,6,7-tetrahydroazepineSMILES: CC1=CC=C(C=C1)S(=O)(=O)N2CCC=CCC2InChIKey: NZLYCWGZDCVFJG-UHFFFAOYSA-NInChI: InChI=1S/C13H17NO2S/c1-12-6-8-13(9-7-12)17(15,16)14-10-4-2-3-5-11-14/h2-3,6-9H,4-5,10-11H2,1H3
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1-Bromo-2-methyl-3，4-dinitrobenzeneCas Number: 290353-57-0 Compound CID: 15889633Formula: C7H5BrN2O4 Molecular Weight: 261.04IUPAC Name: 1-bromo-2-methyl-3,4-dinitrobenzeneSMILES: CC1=C(C=CC(=C1[N+](=O)[O-])[N+](=O)[O-])BrInChIKey: OXYXHHOXCIPFBY-UHFFFAOYSA-NInChI: InChI=1S/C7H5BrN2O4/c1-4-5(8)2-3-6(9(11)12)7(4)10(13)14/h2-3H,1H3
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1-(o-Tolyl)cyclopropanamine hydrochlorideCas Number: 1134701-31-7 Compound CID: 24206577Formula: C10H14ClN Molecular Weight: 183.68IUPAC Name: 1-(2-methylphenyl)cyclopropan-1-amine;hydrochlorideSMILES: CC1=CC=CC=C1C2(CC2)N.ClInChIKey: ZTCSPKKBVQLMRB-UHFFFAOYSA-NInChI: InChI=1S/C10H13N.ClH/c1-8-4-2-3-5-9(8)10(11)6-7-10;/h2-5H,6-7,11H2,1H3;1H
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1-(m-Tolyl)cyclopropanamineCas Number: 503417-30-9 Compound CID: 24206580Formula: C10H13N Molecular Weight: 147.22IUPAC Name: 1-(3-methylphenyl)cyclopropan-1-amineSMILES: CC1=CC(=CC=C1)C2(CC2)NInChIKey: QAPBZJDWGYFMAS-UHFFFAOYSA-NInChI: InChI=1S/C10H13N/c1-8-3-2-4-9(7-8)10(11)5-6-10/h2-4,7H,5-6,11H2,1H3
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1-(o-Tolyl)guanidineCas Number: 37557-40-7 Compound CID: 409363IUPAC Name: 2-(2-methylphenyl)guanidineSMILES: CC1=CC=CC=C1N=C(N)NInChIKey: VVFVRTNNLLZXAL-UHFFFAOYSA-NInChI: InChI=1S/C8H11N3/c1-6-4-2-3-5-7(6)11-8(9)10/h2-5H,1H3,(H4,9,10,11)
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1-(p-Tolyl)cyclobutane-1-carboxylicacidCas Number: 50921-38-5 Compound CID: 23295038Formula: C12H14O2 Molecular Weight: 190.24IUPAC Name: 1-(4-methylphenyl)cyclobutane-1-carboxylic acidSMILES: CC1=CC=C(C=C1)C2(CCC2)C(=O)OInChIKey: GFNPCJCIUWSWIV-UHFFFAOYSA-NInChI: InChI=1S/C12H14O2/c1-9-3-5-10(6-4-9)12(11(13)14)7-2-8-12/h3-6H,2,7-8H2,1H3,(H,13,14)
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1-(m-Tolyl)cyclopropanecarboxylicacidCas Number: 886366-16-1 Compound CID: 16769577Formula: C11H12O2 Molecular Weight: 176.21IUPAC Name: 1-(3-methylphenyl)cyclopropane-1-carboxylic acidSMILES: CC1=CC(=CC=C1)C2(CC2)C(=O)OInChIKey: RUVWKLPXGCGYOR-UHFFFAOYSA-NInChI: InChI=1S/C11H12O2/c1-8-3-2-4-9(7-8)11(5-6-11)10(12)13/h2-4,7H,5-6H2,1H3,(H,12,13)
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(S)-1-(m-Tolyl)ethanamineCas Number: 138457-18-8Formula: C9H14ClN Molecular Weight: 171.67IUPAC Name: (1S)-1-(3-methylphenyl)ethanamineSMILES: CC1=CC(=CC=C1)C(C)NInChIKey: HIJMHAFOUAKOMS-QMMMGPOBSA-NInChI: InChI=1S/C9H13N/c1-7-4-3-5-9(6-7)8(2)10/h3-6,8H,10H2,1-2H3/t8-/m0/s1
