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Toluenes
Description:
Compounds containing a benzene ring which bears a methane group.
Ancestors:
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4-Chloro-6-methylm-phenylene diisocyanateCas Number: 15166-26-4 Compound CID: 4146246Formula: C9H5ClN2O2 Molecular Weight: 208.6IUPAC Name: 1-chloro-2,4-diisocyanato-5-methylbenzeneSMILES: CC1=CC(=C(C=C1N=C=O)N=C=O)ClInChIKey: AULVDVFFHZBVDO-UHFFFAOYSA-NInChI: InChI=1S/C9H5ClN2O2/c1-6-2-7(10)9(12-5-14)3-8(6)11-4-13/h2-3H,1H3 -
4-Bromo-N，2-dimethylanilineCas Number: 59557-89-0 Compound CID: 22042599Formula: C8H10BrN Molecular Weight: 200.08IUPAC Name: 4-bromo-N,2-dimethylanilineSMILES: CC1=C(C=CC(=C1)Br)NCInChIKey: VCZTYYHYOULJLT-UHFFFAOYSA-NInChI: InChI=1S/C8H10BrN/c1-6-5-7(9)3-4-8(6)10-2/h3-5,10H,1-2H3
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4-Bromo-N-(p-tolyl)anilineCas Number: 858516-23-1 Compound CID: 11959048Formula: C13H12BrN Molecular Weight: 262.14IUPAC Name: N-(4-bromophenyl)-4-methylanilineSMILES: CC1=CC=C(C=C1)NC2=CC=C(C=C2)BrInChIKey: BGBUEPYWYDNJQN-UHFFFAOYSA-NInChI: InChI=1S/C13H12BrN/c1-10-2-6-12(7-3-10)15-13-8-4-11(14)5-9-13/h2-9,15H,1H3
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4-Bromo-3-methylaniline hydrochlorideCas Number: 202925-03-9 Compound CID: 24212085Formula: C7H9BrClN Molecular Weight: 222.51IUPAC Name: 4-bromo-3-methylaniline;hydrochlorideSMILES: CC1=C(C=CC(=C1)N)Br.ClInChIKey: QNZVHQKKIGXCLI-UHFFFAOYSA-NInChI: InChI=1S/C7H8BrN.ClH/c1-5-4-6(9)2-3-7(5)8;/h2-4H,9H2,1H3;1H
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4-(4，4，5，5-Tetramethyl-1，3，2-dioxaborolan-2-yl)-1-tosyl-1，2，3，6-tetrahydropyridineCas Number: 1256360-46-9 Compound CID: 53217272Formula: C18H26BNO4S Molecular Weight: 363.29IUPAC Name: 1-(4-methylphenyl)sulfonyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridineSMILES: B1(OC(C(O1)(C)C)(C)C)C2=CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)CInChIKey: HSUXBKSAYIKGHM-UHFFFAOYSA-NInChI: InChI=1S/C18H26BNO4S/c1-14-6-8-16(9-7-14)25(21,22)20-12-10-15(11-13-20)19-23-17(2,3)18(4,5)24-19/h6-10H,11-13H2,1-5H3
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4-(4-Methylphenyl)-2-butanoneCas Number: 7774-79-0 Compound CID: 5463908Formula: C11H14O Molecular Weight: 162.23IUPAC Name: 4-(4-methylphenyl)butan-2-oneSMILES: CC1=CC=C(C=C1)CCC(=O)CInChIKey: BUIRDOGDCJQFDA-UHFFFAOYSA-NInChI: InChI=1S/C11H14O/c1-9-3-6-11(7-4-9)8-5-10(2)12/h3-4,6-7H,5,8H2,1-2H3
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3-Ethynyl-4-methylanilineCas Number: 134690-40-7 Compound CID: 23225840Formula: C9H9N Molecular Weight: 131.17IUPAC Name: 3-ethynyl-4-methylanilineSMILES: CC1=C(C=C(C=C1)N)C#CInChIKey: PWLCLSPCHRYXHK-UHFFFAOYSA-NInChI: InChI=1S/C9H9N/c1-3-8-6-9(10)5-4-7(8)2/h1,4-6H,10H2,2H3
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2，6-Difluoro-4-MethylanilineCas Number: 1379028-84-8 Compound CID: 21304359Formula: C7H7F2N Molecular Weight: 143.137IUPAC Name: 2,6-difluoro-4-methylanilineSMILES: CC1=CC(=C(C(=C1)F)N)FInChIKey: GKJBNEFMCNLWEN-UHFFFAOYSA-NInChI: InChI=1S/C7H7F2N/c1-4-2-5(8)7(10)6(9)3-4/h2-3H,10H2,1H3
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2，3-Difluoro-4-methylanilineCas Number: 886503-79-3 Compound CID: 17750814Formula: C7H7F2N Molecular Weight: 143.13IUPAC Name: 2,3-difluoro-4-methylanilineSMILES: CC1=C(C(=C(C=C1)N)F)FInChIKey: HMDHQYKNBZEFTH-UHFFFAOYSA-NInChI: InChI=1S/C7H7F2N/c1-4-2-3-5(10)7(9)6(4)8/h2-3H,10H2,1H3
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2-Chloro-4-fluoro-6-methylbenzenamineCas Number: 332903-47-6 Compound CID: 20434484Formula: C7H7ClFN Molecular Weight: 159.59IUPAC Name: 2-chloro-4-fluoro-6-methylanilineSMILES: CC1=CC(=CC(=C1N)Cl)FInChIKey: PLTNCEGFKZZXEI-UHFFFAOYSA-NInChI: InChI=1S/C7H7ClFN/c1-4-2-5(9)3-6(8)7(4)10/h2-3H,10H2,1H3
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2-Methylbenzamidine HydrochlorideFormula: C8H11ClN2 Molecular Weight: 170.64IUPAC Name: 2-methylbenzenecarboximidamide;hydrochlorideSMILES: CC1=CC=CC=C1C(=N)N.ClInChIKey: USHZYUPZIKQYMI-UHFFFAOYSA-NInChI: InChI=1S/C8H10N2.ClH/c1-6-4-2-3-5-7(6)8(9)10;/h2-5H,1H3,(H3,9,10);1H
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2-Methyl-5-(4，4，5，5-tetramethyl-1，3，2-dioxaborolan-2-yl)anilineCas Number: 850689-28-0 Compound CID: 44118757Formula: C13H20BNO2 Molecular Weight: 233.11IUPAC Name: 2-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)anilineSMILES: B1(OC(C(O1)(C)C)(C)C)C2=CC(=C(C=C2)C)NInChIKey: FMQQUQQDKQTZJP-UHFFFAOYSA-NInChI: InChI=1S/C13H20BNO2/c1-9-6-7-10(8-11(9)15)14-16-12(2,3)13(4,5)17-14/h6-8H,15H2,1-5H3
