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Boronic acid derivatives
Description:
Compounds comprising any derivative of the boronic acid functional group, with the general structure RB(X)Y (R=alkyl, aryl; X,Y= any O, N, Hal residue).
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3-Methyl-1-propyl-5-(4，4，5，5-tetramethyl-1，3，2-dioxaborolan-2-yl)-1H-pyrazoleCas Number: 847818-80-8 Compound CID: 11368688Formula: C13H23BN2O2 Molecular Weight: 250.15IUPAC Name: 3-methyl-1-propyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazoleSMILES: B1(OC(C(O1)(C)C)(C)C)C2=CC(=NN2CCC)CInChIKey: NPVZCPBYUYTYFR-UHFFFAOYSA-NInChI: InChI=1S/C13H23BN2O2/c1-7-8-16-11(9-10(2)15-16)14-17-12(3,4)13(5,6)18-14/h9H,7-8H2,1-6H3 -
3-(4，4，5，5-Tetramethyl-1，3，2-dioxaborolan-2-yl)thiophene-2-carbonitrileCas Number: 942070-34-0 Compound CID: 15979305Formula: C11H14BNO2S Molecular Weight: 235.11IUPAC Name: 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)thiophene-2-carbonitrileSMILES: B1(OC(C(O1)(C)C)(C)C)C2=C(SC=C2)C#NInChIKey: HUZWPBPPEDMPTR-UHFFFAOYSA-NInChI: InChI=1S/C11H14BNO2S/c1-10(2)11(3,4)15-12(14-10)8-5-6-16-9(8)7-13/h5-6H,1-4H3
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3-(4，4，5，5-Tetramethyl-1，3，2-dioxaborolan-2-yl)propanoic acidCas Number: 1191063-90-7 Compound CID: 46867582Formula: C9H17BO4 Molecular Weight: 200.04IUPAC Name: 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propanoic acidSMILES: B1(OC(C(O1)(C)C)(C)C)CCC(=O)OInChIKey: KOEHRDXIOARYAC-UHFFFAOYSA-NInChI: InChI=1S/C9H17BO4/c1-8(2)9(3,4)14-10(13-8)6-5-7(11)12/h5-6H2,1-4H3,(H,11,12)
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3-(4， 4， 5， 5-Tetramethyl-1， 3， 2-dioxaborolan-2-yl)propanenitrileCas Number: 238088-31-8 Compound CID: 57416196Formula: C9H16BNO2 Molecular Weight: 181.04IUPAC Name: 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propanenitrileSMILES: B1(OC(C(O1)(C)C)(C)C)CCC#NInChIKey: YCRBWRBCSUVPIG-UHFFFAOYSA-NInChI: InChI=1S/C9H16BNO2/c1-8(2)9(3,4)13-10(12-8)6-5-7-11/h5-6H2,1-4H3
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2-(4-Ethylcyclohex-1-en-1-yl)-4，4，5，5-tetramethyl-1，3，2-dioxaborolaneCas Number: 1092938-90-3 Compound CID: 54759240Formula: C14H25BO2 Molecular Weight: 236.15IUPAC Name: 2-(4-ethylcyclohexen-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolaneSMILES: B1(OC(C(O1)(C)C)(C)C)C2=CCC(CC2)CCInChIKey: NTSKENROBGXZLC-UHFFFAOYSA-NInChI: InChI=1S/C14H25BO2/c1-6-11-7-9-12(10-8-11)15-16-13(2,3)14(4,5)17-15/h9,11H,6-8,10H2,1-5H3
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2-(2-Cyclopropylvinyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolaneCas Number: 1092449-35-8Formula: C11H19BO2 Molecular Weight: 194.08IUPAC Name: 2-[(E)-2-cyclopropylethenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolaneSMILES: B1(OC(C(O1)(C)C)(C)C)C=CC2CC2InChIKey: FCWYPDPDAZGFRJ-BQYQJAHWSA-NInChI: InChI=1S/C11H19BO2/c1-10(2)11(3,4)14-12(13-10)8-7-9-5-6-9/h7-9H,5-6H2,1-4H3/b8-7+
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1-Propyl-5-(4，4，5，5-tetramethyl-1，3，2-dioxaborolan-2-yl)-1H-pyrazoleCas Number: 847818-76-2 Compound CID: 11264841Formula: C12H21BN2O2 Molecular Weight: 236.12IUPAC Name: 1-propyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazoleSMILES: B1(OC(C(O1)(C)C)(C)C)C2=CC=NN2CCCInChIKey: FLLUYNSHSZMQPN-UHFFFAOYSA-NInChI: InChI=1S/C12H21BN2O2/c1-6-9-15-10(7-8-14-15)13-16-11(2,3)12(4,5)17-13/h7-8H,6,9H2,1-5H3
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1-Decylboronic acidCas Number: 24464-63-9 Compound CID: 4186635Formula: C10H23BO2 Molecular Weight: 186.1IUPAC Name: decylboronic acidSMILES: B(CCCCCCCCCC)(O)OInChIKey: TUTSEMMBKGBUGD-UHFFFAOYSA-NInChI: InChI=1S/C10H23BO2/c1-2-3-4-5-6-7-8-9-10-11(12)13/h12-13H,2-10H2,1H3
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1-(2，2-Dimethoxyethyl)-4-(4，4，5，5-tetramethyl-1，3，2-dioxaborolan-2-yl)-1H-pyrazoleCas Number: 864754-40-5 Compound CID: 17999235Formula: C13H23BN2O4 Molecular Weight: 282.15IUPAC Name: 1-(2,2-dimethoxyethyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazoleSMILES: B1(OC(C(O1)(C)C)(C)C)C2=CN(N=C2)CC(OC)OCInChIKey: JYXYGJBBORRRTE-UHFFFAOYSA-NInChI: InChI=1S/C13H23BN2O4/c1-12(2)13(3,4)20-14(19-12)10-7-15-16(8-10)9-11(17-5)18-6/h7-8,11H,9H2,1-6H3
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1-(2-Methylpropyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazoleCas Number: 847818-75-1 Compound CID: 11414017Formula: C13H23BN2O2 Molecular Weight: 250.15IUPAC Name: 1-(2-methylpropyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazoleSMILES: B1(OC(C(O1)(C)C)(C)C)C2=CC=NN2CC(C)CInChIKey: UCTGHVVGYUCXFN-UHFFFAOYSA-NInChI: InChI=1S/C13H23BN2O2/c1-10(2)9-16-11(7-8-15-16)14-17-12(3,4)13(5,6)18-14/h7-8,10H,9H2,1-6H3
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(E)-3，3-dimethylbut-1-enylboronic acidCas Number: 86595-37-1 Compound CID: 5706775Formula: C6H13BO2 Molecular Weight: 127.98IUPAC Name: [(E)-3,3-dimethylbut-1-enyl]boronic acidSMILES: B(C=CC(C)(C)C)(O)OInChIKey: CTIWKIMYFQSVBZ-SNAWJCMRSA-NInChI: InChI=1S/C6H13BO2/c1-6(2,3)4-5-7(8)9/h4-5,8-9H,1-3H3/b5-4+
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(Chloromethyl)boronic Acid Pinacol EsterCas Number: 83622-42-8 Compound CID: 11126810Formula: C7H14BClO2 Molecular Weight: 176.45IUPAC Name: 2-(chloromethyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolaneSMILES: B1(OC(C(O1)(C)C)(C)C)CClInChIKey: ABFNBZSUTILCRK-UHFFFAOYSA-NInChI: InChI=1S/C7H14BClO2/c1-6(2)7(3,4)11-8(5-9)10-6/h5H2,1-4H3
