Benzenoids
3-Cyclopropylmethoxy-4-difluoromethoxybenzoic acid, 98%
CAS: 162401-62-9 Molecular Formula: C12H12F2O4 Molecular Weight (g/mol): 258.221 MDL Number: MFCD04621687 InChI Key: IGFDIFLMMLWKKY-UHFFFAOYSA-N Synonym: 3-cyclopropylmethoxy-4-difluoromethoxy benzoic acid,3-cyclopropylmethoxy-4-difluoromethoxy-benzoic acid,benzoic acid, 3-cyclopropylmethoxy-4-difluoromethoxy,roflumilast intermediate,roflumilast intermediate b,3-cyclopropylmethoxy-4-difluoromethoxybenzoicacid,3-cyclopropylmethoxy-4-difluoromethoxy-benzoic acid,3-cyclopropylmethoxy 4-difluoromethoxy benzoic acid PubChem CID: 2394006 IUPAC Name: 3-(cyclopropylmethoxy)-4-(difluoromethoxy)benzoic acid SMILES: C1CC1COC2=C(C=CC(=C2)C(=O)O)OC(F)F
3,5-Bis(methoxycarbonyl)benzeneboronic acid, 97%
CAS: 177735-55-6 Molecular Formula: C10H11BO6 Molecular Weight (g/mol): 238.00 MDL Number: MFCD11053854 InChI Key: WEJWFDLAZSVCJK-UHFFFAOYSA-N Synonym: 3,5-bis methoxycarbonyl phenylboronic acid,3,5-bis methoxycarbonyl phenyl boronic acid,3,5-bis methoxycarbonyl benzeneboronic acid,1,3-benzenedicarboxylic acid, 5-borono-, 1,3-dimethyl ester,3,5-di methoxycarbonyl phenylboronic acid,acmc-1c6yh,3,5-bis methoxycarbonyl phenyl-dihydroxyborane PubChem CID: 19363104 IUPAC Name: [3,5-bis(methoxycarbonyl)phenyl]boronic acid SMILES: COC(=O)C1=CC(=CC(=C1)B(O)O)C(=O)OC
2,2'-Methylenebis(4-chlorophenol), 95%
CAS: 97-23-4 Molecular Formula: C13H10Cl2O2 Molecular Weight (g/mol): 269.12 MDL Number: MFCD00002322 InChI Key: MDNWOSOZYLHTCG-UHFFFAOYSA-N Synonym: dichlorophen,dichlorophene,dichlorofen,dichlorphen,trivex,2,2'-methylenebis 4-chlorophenol,didroxan,didroxane,anthiphen,antiphen PubChem CID: 3037 ChEBI: CHEBI:34689 IUPAC Name: 4-chloro-2-[(5-chloro-2-hydroxyphenyl)methyl]phenol SMILES: OC1=CC=C(Cl)C=C1CC1=CC(Cl)=CC=C1O
Methyl 2-iodo-5-methylbenzoate, 95%
CAS: 103440-52-4 Molecular Formula: C9H9IO2 Molecular Weight (g/mol): 276.07 MDL Number: MFCD12198129 InChI Key: DHYMLHOXGMUIDZ-UHFFFAOYSA-N PubChem CID: 14263946 IUPAC Name: methyl 2-iodo-5-methylbenzoate SMILES: COC(=O)C1=C(I)C=CC(C)=C1
Methyl 4-fluorophenylacetate, 98%
CAS: 34837-84-8 Molecular Formula: C9H9FO2 Molecular Weight (g/mol): 168.167 MDL Number: MFCD00800608 InChI Key: AJPPKGMEHMXPMC-UHFFFAOYSA-N Synonym: methyl 2-4-fluorophenyl acetate,methyl 4-fluorophenylacetate,4-fluorophenylacetic acid methyl ester,pubchem24389,acmc-209iaq,methyl-4-fluorphenylacetate,methyl-4-fluorophenylacetate,methyl 4-fluorophenyl-acetate,methyl 4-fluorophenyl acetate PubChem CID: 2733233 IUPAC Name: methyl 2-(4-fluorophenyl)acetate SMILES: COC(=O)CC1=CC=C(C=C1)F
Potassium tetrakis(pentafluorophenyl)borate, 97%
CAS: 89171-23-3 Molecular Formula: C24BF20K Molecular Weight (g/mol): 718.14 MDL Number: MFCD06797410 InChI Key: GYBHRIJOPWTIKA-UHFFFAOYSA-N Synonym: potassium tetrakis pentafluorophenyl borate,potassium tetrakis pentafluorophe-nyl borate,tetrakis-pentafluorophenyl-potassium borate,potassium tetrakis 2,3,4,5,6-pentafluorophenyl boranuide PubChem CID: 23693577 IUPAC Name: potassium;tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide SMILES: [B-](C1=C(C(=C(C(=C1F)F)F)F)F)(C2=C(C(=C(C(=C2F)F)F)F)F)(C3=C(C(=C(C(=C3F)F)F)F)F)C4=C(C(=C(C(=C4F)F)F)F)F.[K+]
2-Isopropylanisole, 98%
CAS: 2944-47-0 Molecular Formula: C10H14O Molecular Weight (g/mol): 150.221 MDL Number: MFCD00798590 InChI Key: NNZRVXTXKISCGS-UHFFFAOYSA-N Synonym: 1-isopropyl-2-methoxybenzene,2-isopropylanisole,o-isopropylanisole,anisole, o-isopropyl,benzene, 1-methoxy-2-1-methylethyl,2-o-methoxyphenyl propane,1-methoxy-2-propan-2-yl benzene,isopropylanisol,isopropyl anisole,acmc-20ansj PubChem CID: 270623 IUPAC Name: 1-methoxy-2-propan-2-ylbenzene SMILES: CC(C)C1=CC=CC=C1OC
N-Fmoc-1-trityl-L-histidine, 98%
CAS: 109425-51-6 Molecular Formula: C40H33N3O4 Molecular Weight (g/mol): 619.721 MDL Number: MFCD00043332 InChI Key: XXMYDXUIZKNHDT-QNGWXLTQSA-N Synonym: fmoc-his trt-oh,n-fmoc-n'-trityl-l-histidine,nalpha-fmoc-nim-trityl-l-histidine,n-a-fmoc-n-im-trityl-l-histidine,n,a-fmoc-n im-trityl-l-histidine,histidine, n-9h-fluoren-9-ylmethoxy carbonyl-1-triphenylmethyl,2s-2-9h-fluoren-9-ylmethoxycarbonylamino-3-1-tritylimidazol-4-yl propanoic acid,fmochis trt oh,2s-2-9h-fluoren-9-ylmethoxy carbonyl amino-3-1-triphenylmethyl imidazol-4-yl propanoic acid,ambotzfaa1090 PubChem CID: 11422193 IUPAC Name: (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(1-tritylimidazol-4-yl)propanoic acid SMILES: C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)N4C=C(N=C4)CC(C(=O)O)NC(=O)OCC5C6=CC=CC=C6C7=CC=CC=C57
4-Nitrothiophenol, 96%
CAS: 1849-36-1 Molecular Formula: C6H5NO2S Molecular Weight (g/mol): 155.171 MDL Number: MFCD00007343 InChI Key: AXBVSRMHOPMXBA-UHFFFAOYSA-N Synonym: 4-nitrothiophenol,4-nitrobenzenethiol,p-nitrothiophenol,benzenethiol, 4-nitro,p-nitrophenyl mercaptan,p-nitrobenzenethiol,benzenethiol, p-nitro,4-nitrobenzene-1-thiol,4-nitrothiophenolate,4-nitro-benzenethiol PubChem CID: 15809 SMILES: C1=CC(=CC=C1[N+](=O)[O-])S
4-Chloro-N-(4-methoxyphenyl)benzamide, 97%
CAS: 4018-82-0 Molecular Formula: C14H12ClNO2 Molecular Weight (g/mol): 261.705 MDL Number: MFCD00508611 InChI Key: UVGPQLMHIRNFEE-UHFFFAOYSA-N Synonym: 4-chloro-n-4-methoxyphenyl benzamide,n-p-chlorobenzoyl-p-anisidine,4-chloro-n-4-methoxy-phenyl-benzamide,benzamide, 4-chloro-n-4-methoxyphenyl,cambridge id 5190257,n-4-methoxyphenyl-4-chlorobenzamide,4-chloro-n-4-methoxyphenyl-benzamide,4-chloro-n-4-methoxyphenyl benzamide #,4-chlorobenzenamide, n-4-methoxyphenyl PubChem CID: 221848 IUPAC Name: 4-chloro-N-(4-methoxyphenyl)benzamide SMILES: COC1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)Cl
(S)-(-)-1,1,2-Triphenyl-1,2-ethanediol, 98%, Thermo Scientific Chemicals
CAS: 108998-83-0 Molecular Formula: C20H18O2 Molecular Weight (g/mol): 290.362 MDL Number: MFCD00075492 InChI Key: GWVWUZJOQHWMFB-IBGZPJMESA-N Synonym: s---1,1,2-triphenylethane-1,2-diol,s---1,1,2-triphenyl-1,2-ethanediol,s-1,1,2-triphenylethane-1,2-diol,2s-1,1,2-triphenylethane-1,2-diol,s-1,1,2-triphenyl-1,2-ethanediol,1,2-ethanediol, 1,1,2-triphenyl-, 2s,1,1,2-triphenyl-ethane-1,2-diol,s-1,1,2-triphenyl-ethane-1,2-diol,s-triphenyl-ethane-1,2-diol,s---triphenylethylene glycol PubChem CID: 7000031 IUPAC Name: (2S)-1,1,2-triphenylethane-1,2-diol SMILES: C1=CC=C(C=C1)C(C(C2=CC=CC=C2)(C3=CC=CC=C3)O)O
4-(Boc-aminomethyl)-3-fluorobenzeneboronic acid pinacol ester, 96%, Thermo Scientific Chemicals
CAS: 1351501-44-4 Molecular Formula: C18H27BFNO4 Molecular Weight (g/mol): 351.225 InChI Key: SAUVAJYHMCIQNE-UHFFFAOYSA-N Synonym: 4-(Boc-aminomethyl)-3-fluorophenylboronic acid pinacol ester PubChem CID: 66980292 IUPAC Name: tert-butyl N-[[2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]carbamate SMILES: B1(OC(C(O1)(C)C)(C)C)C2=CC(=C(C=C2)CNC(=O)OC(C)(C)C)F
3-Fluoro-4-(trifluoromethyl)benzeneboronic acid pinacol ester, 96%, Thermo Scientific Chemicals
CAS: 445303-67-3 Molecular Formula: C13H15BF4O2 Molecular Weight (g/mol): 290.065 MDL Number: MFCD09878544 InChI Key: FPCSARGPMNDYAO-UHFFFAOYSA-N Synonym: 2-3-fluoro-4-trifluoromethyl phenyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane,3-fluoro-4-trifluoromethyl phenylboronic acid pinacol ester,3-fluoro-4-trifluoromethyl phenylboronic acid, pinacol ester,3-fluoro-4-trifluoromethyl benzeneboronic acid pinacol ester,1,3,2-dioxaborolane, 2-3-fluoro-4-trifluoromethyl phenyl-4,4,5,5-tetramethyl,2-3-fluoro-4-trifluoromethyl phenyl-4,4,5,5-tetramethyl-1,3,2-dioxa-borolane PubChem CID: 46739054 IUPAC Name: 2-[3-fluoro-4-(trifluoromethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane SMILES: B1(OC(C(O1)(C)C)(C)C)C2=CC(=C(C=C2)C(F)(F)F)F
4-(Trifluoromethoxy)phenol, 98%
CAS: 828-27-3 Molecular Formula: C7H5F3O2 Molecular Weight (g/mol): 178.11 MDL Number: MFCD00040988 InChI Key: WDRJNKMAZMEYOF-UHFFFAOYSA-N Synonym: 4-trifluoromethoxy phenol,p-trifluoromethoxy phenol,phenol, 4-trifluoromethoxy,4-hydroxytrifluoromethoxybenzene,4-trifluoromethoxy-phenol,4-hydroxyphenyl trifluoromethyl ether,p-trifluoromethoxyphenol PubChem CID: 70015 IUPAC Name: 4-(trifluoromethoxy)phenol SMILES: OC1=CC=C(OC(F)(F)F)C=C1
2-Bromophenylboronic acid, 97%
CAS: 244205-40-1 Molecular Formula: C6H6BBrO2 Molecular Weight (g/mol): 200.83 MDL Number: MFCD01114672 InChI Key: PLVCYMZAEQRYHJ-UHFFFAOYSA-N Synonym: 2-bromophenyl boronic acid,o-bromophenylboronic acid,2-bromobenzeneboronic acid,2-bromophenylboronicacid,boronic acid, 2-bromophenyl,bromobenzeneboronic acid,pubchem13095,2-bromo phenyl boronic acid,2-bromo-phenyl boronic acid PubChem CID: 2773294 IUPAC Name: (2-bromophenyl)boronic acid SMILES: OB(O)C1=CC=CC=C1Br