Organic compounds
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2,5-Difluorobenzyl Chloride 98.0+%, TCI America™
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CAS: 495-07-8 Molecular Formula: C7H5ClF2 Molecular Weight (g/mol): 162.564 MDL Number: MFCD01090989 InChI Key: INXKTZMJFPRVAY-UHFFFAOYSA-N Synonym: 2,5-difluorobenzyl chloride,2-chloromethyl-1,4-difluorobenzene,2,5-difluorobenzylchloride,alpha-chloro-2,5-difluorotoluene,benzene, 2-chloromethyl-1,4-difluoro,2-chloromethyl-1,4-bis fluoranyl benzene,2-chloromethyl-1,4-difluoro-benzene,acmc-1an3f,ksc591g4f PubChem CID: 2736950 IUPAC Name: 2-(chloromethyl)-1,4-difluorobenzene SMILES: C1=CC(=C(C=C1F)CCl)F
| PubChem CID | 2736950 |
|---|---|
| CAS | 495-07-8 |
| Molecular Weight (g/mol) | 162.564 |
| MDL Number | MFCD01090989 |
| SMILES | C1=CC(=C(C=C1F)CCl)F |
| Synonym | 2,5-difluorobenzyl chloride,2-chloromethyl-1,4-difluorobenzene,2,5-difluorobenzylchloride,alpha-chloro-2,5-difluorotoluene,benzene, 2-chloromethyl-1,4-difluoro,2-chloromethyl-1,4-bis fluoranyl benzene,2-chloromethyl-1,4-difluoro-benzene,acmc-1an3f,ksc591g4f |
| IUPAC Name | 2-(chloromethyl)-1,4-difluorobenzene |
| InChI Key | INXKTZMJFPRVAY-UHFFFAOYSA-N |
| Molecular Formula | C7H5ClF2 |
5-Bromobenzo[b]thiophene 98.0+%, TCI America™
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CAS: 4923-87-9 Molecular Formula: C8H5BrS Molecular Weight (g/mol): 213.09 MDL Number: MFCD03069318 InChI Key: RDSIMGKJEYNNLF-UHFFFAOYSA-N Synonym: 5-bromobenzo b thiophene,5-bromobenzothiophene,5-bromo-benzo b thiophene,5-bromothianaphthene,benzo b thiophene, 5-bromo,zlchem 181,pubchem7752,5-bromo-benzothiophene,pubchem15353,acmc-1anox PubChem CID: 2776578 IUPAC Name: 5-bromo-1-benzothiophene SMILES: BrC1=CC=C2SC=CC2=C1
| PubChem CID | 2776578 |
|---|---|
| CAS | 4923-87-9 |
| Molecular Weight (g/mol) | 213.09 |
| MDL Number | MFCD03069318 |
| SMILES | BrC1=CC=C2SC=CC2=C1 |
| Synonym | 5-bromobenzo b thiophene,5-bromobenzothiophene,5-bromo-benzo b thiophene,5-bromothianaphthene,benzo b thiophene, 5-bromo,zlchem 181,pubchem7752,5-bromo-benzothiophene,pubchem15353,acmc-1anox |
| IUPAC Name | 5-bromo-1-benzothiophene |
| InChI Key | RDSIMGKJEYNNLF-UHFFFAOYSA-N |
| Molecular Formula | C8H5BrS |
1-Acetylisatin 98.0+%, TCI America™
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CAS: 574-17-4 Molecular Formula: C10H7NO3 Molecular Weight (g/mol): 189.17 MDL Number: MFCD00158542 InChI Key: LPGDEHBASRKTDG-UHFFFAOYSA-N Synonym: 1-acetylisatin,n-acetylisatin,1-acetyl-1h-indole-2,3-dione,acetylisatin,1-acetylindoline-2,3-dione,1-acetyl-indole-2,3-dione,1h-indole-2,3-dione, 1-acetyl,indole-2,3-dione, 1-acetyl,1-acetyl-2,3-dihydro-1h-indole-2,3-dione,n-acetyl-isatin PubChem CID: 11321 ChEBI: CHEBI:16050 IUPAC Name: 1-acetyl-2,3-dihydro-1H-indole-2,3-dione SMILES: CC(=O)N1C(=O)C(=O)C2=CC=CC=C12
| PubChem CID | 11321 |
|---|---|
| CAS | 574-17-4 |
| Molecular Weight (g/mol) | 189.17 |
| ChEBI | CHEBI:16050 |
| MDL Number | MFCD00158542 |
| SMILES | CC(=O)N1C(=O)C(=O)C2=CC=CC=C12 |
| Synonym | 1-acetylisatin,n-acetylisatin,1-acetyl-1h-indole-2,3-dione,acetylisatin,1-acetylindoline-2,3-dione,1-acetyl-indole-2,3-dione,1h-indole-2,3-dione, 1-acetyl,indole-2,3-dione, 1-acetyl,1-acetyl-2,3-dihydro-1h-indole-2,3-dione,n-acetyl-isatin |
| IUPAC Name | 1-acetyl-2,3-dihydro-1H-indole-2,3-dione |
| InChI Key | LPGDEHBASRKTDG-UHFFFAOYSA-N |
| Molecular Formula | C10H7NO3 |
2-Bromo-4-tert-butylphenol 97.0+%, TCI America™
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CAS: 2198-66-5 Molecular Formula: C10H13BrO Molecular Weight (g/mol): 229.117 MDL Number: MFCD02682891 InChI Key: FFRLMQPMGIMHHQ-UHFFFAOYSA-N PubChem CID: 75147 IUPAC Name: 2-bromo-4-tert-butylphenol SMILES: CC(C)(C)C1=CC(=C(C=C1)O)Br
| PubChem CID | 75147 |
|---|---|
| CAS | 2198-66-5 |
| Molecular Weight (g/mol) | 229.117 |
| MDL Number | MFCD02682891 |
| SMILES | CC(C)(C)C1=CC(=C(C=C1)O)Br |
| IUPAC Name | 2-bromo-4-tert-butylphenol |
| InChI Key | FFRLMQPMGIMHHQ-UHFFFAOYSA-N |
| Molecular Formula | C10H13BrO |
Trospium Chloride 98.0+%, TCI America™
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CAS: 10405-02-4 Molecular Formula: C25H30ClNO3 Molecular Weight (g/mol): 427.969 MDL Number: MFCD00865254 InChI Key: RVCSYOQWLPPAOA-VROPFNGYSA-M PubChem CID: 73415998 IUPAC Name: [(1S,5S)-spiro[8-azoniabicyclo[3.2.1]octane-8,1'-azolidin-1-ium]-3-yl] 2-hydroxy-2,2-diphenylacetate;chloride SMILES: C1CC[N+]2(C1)C3CCC2CC(C3)OC(=O)C(C4=CC=CC=C4)(C5=CC=CC=C5)O.[Cl-]
| PubChem CID | 73415998 |
|---|---|
| CAS | 10405-02-4 |
| Molecular Weight (g/mol) | 427.969 |
| MDL Number | MFCD00865254 |
| SMILES | C1CC[N+]2(C1)C3CCC2CC(C3)OC(=O)C(C4=CC=CC=C4)(C5=CC=CC=C5)O.[Cl-] |
| IUPAC Name | [(1S,5S)-spiro[8-azoniabicyclo[3.2.1]octane-8,1'-azolidin-1-ium]-3-yl] 2-hydroxy-2,2-diphenylacetate;chloride |
| InChI Key | RVCSYOQWLPPAOA-VROPFNGYSA-M |
| Molecular Formula | C25H30ClNO3 |
Isobutyl Styryl Ketone, TCI America™
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CAS: 2892-18-4 Molecular Formula: C13H16O Molecular Weight (g/mol): 188.27 MDL Number: MFCD00026487 InChI Key: LLVCDRTZBYXKII-CMDGGOBGSA-N Synonym: 5-Methyl-1-phenyl-1-hexen-3-one PubChem CID: 5354491 IUPAC Name: (E)-5-methyl-1-phenylhex-1-en-3-one SMILES: CC(C)CC(=O)C=CC1=CC=CC=C1
| PubChem CID | 5354491 |
|---|---|
| CAS | 2892-18-4 |
| Molecular Weight (g/mol) | 188.27 |
| MDL Number | MFCD00026487 |
| SMILES | CC(C)CC(=O)C=CC1=CC=CC=C1 |
| Synonym | 5-Methyl-1-phenyl-1-hexen-3-one |
| IUPAC Name | (E)-5-methyl-1-phenylhex-1-en-3-one |
| InChI Key | LLVCDRTZBYXKII-CMDGGOBGSA-N |
| Molecular Formula | C13H16O |
4-Fluoro-2-(trifluoromethyl)benzaldehyde 98.0+%, TCI America™
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CAS: 90176-80-0 Molecular Formula: C8H4F4O Molecular Weight (g/mol): 192.113 InChI Key: NONOHEMDNFTKCZ-UHFFFAOYSA-N Synonym: 4-fluoro-2-trifluoromethyl benzaldehyde,2-trifluoromethyl-4-fluorobenzaldehyde,4-fluoro-2-trifluoromethyl-benzaldehyde,benzaldehyde, 4-fluoro-2-trifluoromethyl,5-fluoro-2-formylbenzotrifluoride,alpha,alpha,alpha,4-tetrafluoro-o-tolualdehyde,pubchem4241,ksc487q2t,paragos 530044 PubChem CID: 522940 IUPAC Name: 4-fluoro-2-(trifluoromethyl)benzaldehyde SMILES: C1=CC(=C(C=C1F)C(F)(F)F)C=O
| PubChem CID | 522940 |
|---|---|
| CAS | 90176-80-0 |
| Molecular Weight (g/mol) | 192.113 |
| SMILES | C1=CC(=C(C=C1F)C(F)(F)F)C=O |
| Synonym | 4-fluoro-2-trifluoromethyl benzaldehyde,2-trifluoromethyl-4-fluorobenzaldehyde,4-fluoro-2-trifluoromethyl-benzaldehyde,benzaldehyde, 4-fluoro-2-trifluoromethyl,5-fluoro-2-formylbenzotrifluoride,alpha,alpha,alpha,4-tetrafluoro-o-tolualdehyde,pubchem4241,ksc487q2t,paragos 530044 |
| IUPAC Name | 4-fluoro-2-(trifluoromethyl)benzaldehyde |
| InChI Key | NONOHEMDNFTKCZ-UHFFFAOYSA-N |
| Molecular Formula | C8H4F4O |
Diethyl Suberate 98.0+%, TCI America™
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CAS: 2050-23-9 Molecular Formula: C12H22O4 Molecular Weight (g/mol): 230.30 MDL Number: MFCD00009217 InChI Key: PEUGOJXLBSIJQS-UHFFFAOYSA-N Synonym: diethyl suberate,ethyl suberate,octanedioic acid, diethyl ester,diethylsuberate,suberic acid diethyl ester,1,8-diethyl octanedioate,acmc-1ce5z,ksc492k9j,octanedioic acid diethyl ester,octanedioic acid,1,8-diethyl ester PubChem CID: 16301 IUPAC Name: 1,8-diethyl octanedioate SMILES: CCOC(=O)CCCCCCC(=O)OCC
| PubChem CID | 16301 |
|---|---|
| CAS | 2050-23-9 |
| Molecular Weight (g/mol) | 230.30 |
| MDL Number | MFCD00009217 |
| SMILES | CCOC(=O)CCCCCCC(=O)OCC |
| Synonym | diethyl suberate,ethyl suberate,octanedioic acid, diethyl ester,diethylsuberate,suberic acid diethyl ester,1,8-diethyl octanedioate,acmc-1ce5z,ksc492k9j,octanedioic acid diethyl ester,octanedioic acid,1,8-diethyl ester |
| IUPAC Name | 1,8-diethyl octanedioate |
| InChI Key | PEUGOJXLBSIJQS-UHFFFAOYSA-N |
| Molecular Formula | C12H22O4 |
2-Vinylanthraquinone 98.0+%, TCI America™
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CAS: 13388-33-5 Molecular Formula: C16H10O2 Molecular Weight (g/mol): 234.25 MDL Number: MFCD18448904 InChI Key: IQOUOAIZDKROQT-UHFFFAOYSA-N PubChem CID: 22708978 IUPAC Name: 2-ethenyl-9,10-dihydroanthracene-9,10-dione SMILES: C=CC1=CC2=C(C=C1)C(=O)C1=CC=CC=C1C2=O
| PubChem CID | 22708978 |
|---|---|
| CAS | 13388-33-5 |
| Molecular Weight (g/mol) | 234.25 |
| MDL Number | MFCD18448904 |
| SMILES | C=CC1=CC2=C(C=C1)C(=O)C1=CC=CC=C1C2=O |
| IUPAC Name | 2-ethenyl-9,10-dihydroanthracene-9,10-dione |
| InChI Key | IQOUOAIZDKROQT-UHFFFAOYSA-N |
| Molecular Formula | C16H10O2 |
Tetrakis(dimethylsilyl)silane 95.0+%, TCI America™
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CAS: 2003-85-2 Molecular Formula: C8H28Si5 MDL Number: MFCD01631315
| CAS | 2003-85-2 |
|---|---|
| MDL Number | MFCD01631315 |
| Molecular Formula | C8H28Si5 |
Molsidomine 98.0+%, TCI America™
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CAS: 25717-80-0 Molecular Formula: C9H14N4O4 Molecular Weight (g/mol): 242.235 MDL Number: MFCD00869301 InChI Key: XLFWDASMENKTKL-UHFFFAOYSA-N PubChem CID: 5353788 IUPAC Name: (1E)-1-ethoxy-N-(3-morpholin-4-yloxadiazol-3-ium-5-yl)methanimidate SMILES: CCOC(=NC1=C[N+](=NO1)N2CCOCC2)[O-]
| PubChem CID | 5353788 |
|---|---|
| CAS | 25717-80-0 |
| Molecular Weight (g/mol) | 242.235 |
| MDL Number | MFCD00869301 |
| SMILES | CCOC(=NC1=C[N+](=NO1)N2CCOCC2)[O-] |
| IUPAC Name | (1E)-1-ethoxy-N-(3-morpholin-4-yloxadiazol-3-ium-5-yl)methanimidate |
| InChI Key | XLFWDASMENKTKL-UHFFFAOYSA-N |
| Molecular Formula | C9H14N4O4 |
4-Chloro-3-nitrobenzamide 98.0+%, TCI America™
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CAS: 16588-06-0 Molecular Formula: C7H5ClN2O3 Molecular Weight (g/mol): 200.578 MDL Number: MFCD00017134 InChI Key: CGXRJCDXGJRBHV-UHFFFAOYSA-N PubChem CID: 27942 IUPAC Name: 4-chloro-3-nitrobenzamide SMILES: C1=CC(=C(C=C1C(=O)N)[N+](=O)[O-])Cl
| PubChem CID | 27942 |
|---|---|
| CAS | 16588-06-0 |
| Molecular Weight (g/mol) | 200.578 |
| MDL Number | MFCD00017134 |
| SMILES | C1=CC(=C(C=C1C(=O)N)[N+](=O)[O-])Cl |
| IUPAC Name | 4-chloro-3-nitrobenzamide |
| InChI Key | CGXRJCDXGJRBHV-UHFFFAOYSA-N |
| Molecular Formula | C7H5ClN2O3 |
2-(Methylthio)aniline 97.0+%, TCI America™
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CAS: 2987-53-3 Molecular Formula: C7H9NS Molecular Weight (g/mol): 139.216 MDL Number: MFCD00007708 InChI Key: WBRPQQSADOCKCH-UHFFFAOYSA-N Synonym: 2-methylthio aniline,2-aminothioanisole,2-methylsulfanyl aniline,2-methylmercaptoaniline,2-methylmercapto aniline,o-thioanisidine,o-aminothioanisole,2-amino thioanisole,benzenamine, 2-methylthio,o-methylthio aniline PubChem CID: 76337 IUPAC Name: 2-methylsulfanylaniline SMILES: CSC1=CC=CC=C1N
| PubChem CID | 76337 |
|---|---|
| CAS | 2987-53-3 |
| Molecular Weight (g/mol) | 139.216 |
| MDL Number | MFCD00007708 |
| SMILES | CSC1=CC=CC=C1N |
| Synonym | 2-methylthio aniline,2-aminothioanisole,2-methylsulfanyl aniline,2-methylmercaptoaniline,2-methylmercapto aniline,o-thioanisidine,o-aminothioanisole,2-amino thioanisole,benzenamine, 2-methylthio,o-methylthio aniline |
| IUPAC Name | 2-methylsulfanylaniline |
| InChI Key | WBRPQQSADOCKCH-UHFFFAOYSA-N |
| Molecular Formula | C7H9NS |
1,2-Bis(tosyloxy)ethane 99.0+%, TCI America™
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CAS: 6315-52-2 Molecular Formula: C16H18O6S2 Molecular Weight (g/mol): 370.434 MDL Number: MFCD00008549 InChI Key: LZIPBJBQQPZLOR-UHFFFAOYSA-N Synonym: 1,2-bis tosyloxy ethane,ethylene glycol ditosylate,ethylene ditosylate,ethane-1,2-diyl bis 4-methylbenzenesulfonate,ethylene glycol di-p-toluenesulfonate,1,2-bis p-toluenesulfonyloxy ethane,ethylene di p-toluenesulfonate,1,2-ethanediol, bis 4-methylbenzenesulfonate,ethylene glycol bis-p-toluenesulfonate,2-p-tolylsulfonyloxy ethyl 4-methylbenzenesulfonate PubChem CID: 228289 IUPAC Name: 2-(4-methylphenyl)sulfonyloxyethyl 4-methylbenzenesulfonate SMILES: CC1=CC=C(C=C1)S(=O)(=O)OCCOS(=O)(=O)C2=CC=C(C=C2)C
| PubChem CID | 228289 |
|---|---|
| CAS | 6315-52-2 |
| Molecular Weight (g/mol) | 370.434 |
| MDL Number | MFCD00008549 |
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)OCCOS(=O)(=O)C2=CC=C(C=C2)C |
| Synonym | 1,2-bis tosyloxy ethane,ethylene glycol ditosylate,ethylene ditosylate,ethane-1,2-diyl bis 4-methylbenzenesulfonate,ethylene glycol di-p-toluenesulfonate,1,2-bis p-toluenesulfonyloxy ethane,ethylene di p-toluenesulfonate,1,2-ethanediol, bis 4-methylbenzenesulfonate,ethylene glycol bis-p-toluenesulfonate,2-p-tolylsulfonyloxy ethyl 4-methylbenzenesulfonate |
| IUPAC Name | 2-(4-methylphenyl)sulfonyloxyethyl 4-methylbenzenesulfonate |
| InChI Key | LZIPBJBQQPZLOR-UHFFFAOYSA-N |
| Molecular Formula | C16H18O6S2 |
5-Fluoronicotinic Acid 98.0+%, TCI America™
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CAS: 402-66-4 Molecular Formula: C6H4FNO2 Molecular Weight (g/mol): 141.10 MDL Number: MFCD01318537 InChI Key: BXZSBDDOYIWMGC-UHFFFAOYSA-N Synonym: 5-fluoronicotinic acid,5-fluoro-3-pyridinecarboxylic acid,5-fluoro-nicotinic acid,3-pyridinecarboxylic acid, 5-fluoro,nicotinic acid, 5-fluoro,3-fluoro-5-carboxypyridine,3-fluoro-5-pyridinecarboxylic acid,5-fluoronicotinicacid,pubchem10942 PubChem CID: 120232 IUPAC Name: 5-fluoropyridine-3-carboxylic acid SMILES: OC(=O)C1=CN=CC(F)=C1
| PubChem CID | 120232 |
|---|---|
| CAS | 402-66-4 |
| Molecular Weight (g/mol) | 141.10 |
| MDL Number | MFCD01318537 |
| SMILES | OC(=O)C1=CN=CC(F)=C1 |
| Synonym | 5-fluoronicotinic acid,5-fluoro-3-pyridinecarboxylic acid,5-fluoro-nicotinic acid,3-pyridinecarboxylic acid, 5-fluoro,nicotinic acid, 5-fluoro,3-fluoro-5-carboxypyridine,3-fluoro-5-pyridinecarboxylic acid,5-fluoronicotinicacid,pubchem10942 |
| IUPAC Name | 5-fluoropyridine-3-carboxylic acid |
| InChI Key | BXZSBDDOYIWMGC-UHFFFAOYSA-N |
| Molecular Formula | C6H4FNO2 |