Organic compounds
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1-Heptyloxy-4-nitrobenzene, TCI America™
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CAS: 13565-36-1 Molecular Formula: C13H19NO3 Molecular Weight (g/mol): 237.299 MDL Number: MFCD00024692 InChI Key: AVDKYVSWJDZALX-UHFFFAOYSA-N Synonym: Heptyl 4-Nitrophenyl Ether PubChem CID: 139499 IUPAC Name: 1-heptoxy-4-nitrobenzene SMILES: CCCCCCCOC1=CC=C(C=C1)[N+](=O)[O-]
| PubChem CID | 139499 |
|---|---|
| CAS | 13565-36-1 |
| Molecular Weight (g/mol) | 237.299 |
| MDL Number | MFCD00024692 |
| SMILES | CCCCCCCOC1=CC=C(C=C1)[N+](=O)[O-] |
| Synonym | Heptyl 4-Nitrophenyl Ether |
| IUPAC Name | 1-heptoxy-4-nitrobenzene |
| InChI Key | AVDKYVSWJDZALX-UHFFFAOYSA-N |
| Molecular Formula | C13H19NO3 |
3-Nitrobenzamide 98.0+%, TCI America™
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CAS: 645-09-0 Molecular Formula: C7H6N2O3 Molecular Weight (g/mol): 166.136 MDL Number: MFCD00007984 InChI Key: KWAYEPXDGHYGRW-UHFFFAOYSA-N Synonym: m-nitrobenzamide,benzamide, 3-nitro,benzamide, m-nitro,3-nitro-benzamide,3-nitrophenylcarboxamide,acmc-209nmr,3-nitrobenzamide,dsstox_cid_5732,dsstox_rid_77897,dsstox_gsid_25732 PubChem CID: 12576 IUPAC Name: 3-nitrobenzamide SMILES: C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)N
| PubChem CID | 12576 |
|---|---|
| CAS | 645-09-0 |
| Molecular Weight (g/mol) | 166.136 |
| MDL Number | MFCD00007984 |
| SMILES | C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)N |
| Synonym | m-nitrobenzamide,benzamide, 3-nitro,benzamide, m-nitro,3-nitro-benzamide,3-nitrophenylcarboxamide,acmc-209nmr,3-nitrobenzamide,dsstox_cid_5732,dsstox_rid_77897,dsstox_gsid_25732 |
| IUPAC Name | 3-nitrobenzamide |
| InChI Key | KWAYEPXDGHYGRW-UHFFFAOYSA-N |
| Molecular Formula | C7H6N2O3 |
Salicylamide 98.0+%, TCI America™
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CAS: 65-45-2 Molecular Formula: C7H7NO2 Molecular Weight (g/mol): 137.14 MDL Number: MFCD00007978 InChI Key: SKZKKFZAGNVIMN-UHFFFAOYSA-N Synonym: salicylamide,o-hydroxybenzamide,benzamide, 2-hydroxy,salicylic acid amide,2-carbamoylphenol,flarpirina,morsarinas,algamon,algiamida,allevin PubChem CID: 5147 ChEBI: CHEBI:32114 IUPAC Name: 2-hydroxybenzamide SMILES: NC(=O)C1=CC=CC=C1O
| PubChem CID | 5147 |
|---|---|
| CAS | 65-45-2 |
| Molecular Weight (g/mol) | 137.14 |
| ChEBI | CHEBI:32114 |
| MDL Number | MFCD00007978 |
| SMILES | NC(=O)C1=CC=CC=C1O |
| Synonym | salicylamide,o-hydroxybenzamide,benzamide, 2-hydroxy,salicylic acid amide,2-carbamoylphenol,flarpirina,morsarinas,algamon,algiamida,allevin |
| IUPAC Name | 2-hydroxybenzamide |
| InChI Key | SKZKKFZAGNVIMN-UHFFFAOYSA-N |
| Molecular Formula | C7H7NO2 |
Tetrakis(4-ethynylphenyl)methane 98.0+%, TCI America™
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CAS: 177991-01-4 Molecular Formula: C33H20 Molecular Weight (g/mol): 416.52 MDL Number: MFCD24873189 InChI Key: JGUCYLISNORQFW-UHFFFAOYSA-N PubChem CID: 12157742 IUPAC Name: 1-ethynyl-4-[tris(4-ethynylphenyl)methyl]benzene SMILES: C#CC1=CC=C(C=C1)C(C1=CC=C(C=C1)C#C)(C1=CC=C(C=C1)C#C)C1=CC=C(C=C1)C#C
| PubChem CID | 12157742 |
|---|---|
| CAS | 177991-01-4 |
| Molecular Weight (g/mol) | 416.52 |
| MDL Number | MFCD24873189 |
| SMILES | C#CC1=CC=C(C=C1)C(C1=CC=C(C=C1)C#C)(C1=CC=C(C=C1)C#C)C1=CC=C(C=C1)C#C |
| IUPAC Name | 1-ethynyl-4-[tris(4-ethynylphenyl)methyl]benzene |
| InChI Key | JGUCYLISNORQFW-UHFFFAOYSA-N |
| Molecular Formula | C33H20 |
2',4',6'-Trimethylacetophenone 97.0+%, TCI America™
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CAS: 1667-01-2 Molecular Formula: C11H14O Molecular Weight (g/mol): 162.23 MDL Number: MFCD00008735 InChI Key: XWCIICLTKWRWCI-UHFFFAOYSA-N Synonym: 1-mesitylethanone,2',4',6'-trimethylacetophenone,acetylmesitylene,acetomesitylene,mesityl methyl ketone,1-2,4,6-trimethylphenyl ethanone,ethanone, 1-2,4,6-trimethylphenyl,2-acetylmesitylene,2,4,6-trimethylacetophenone,methyl 2,4,6-trimethylphenyl ketone PubChem CID: 15461 IUPAC Name: 1-(2,4,6-trimethylphenyl)ethan-1-one SMILES: CC(=O)C1=C(C)C=C(C)C=C1C
| PubChem CID | 15461 |
|---|---|
| CAS | 1667-01-2 |
| Molecular Weight (g/mol) | 162.23 |
| MDL Number | MFCD00008735 |
| SMILES | CC(=O)C1=C(C)C=C(C)C=C1C |
| Synonym | 1-mesitylethanone,2',4',6'-trimethylacetophenone,acetylmesitylene,acetomesitylene,mesityl methyl ketone,1-2,4,6-trimethylphenyl ethanone,ethanone, 1-2,4,6-trimethylphenyl,2-acetylmesitylene,2,4,6-trimethylacetophenone,methyl 2,4,6-trimethylphenyl ketone |
| IUPAC Name | 1-(2,4,6-trimethylphenyl)ethan-1-one |
| InChI Key | XWCIICLTKWRWCI-UHFFFAOYSA-N |
| Molecular Formula | C11H14O |
4'-Butylacetophenone 97.0+%, TCI America™
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CAS: 37920-25-5 Molecular Formula: C12H16O Molecular Weight (g/mol): 176.26 MDL Number: MFCD00017500 InChI Key: MQESVSITPLILCO-UHFFFAOYSA-N Synonym: 4'-butylacetophenone,1-4-butylphenyl ethanone,ethanone, 1-4-butylphenyl,p-butylacetophenone,1-4-butylphenyl ethan-1-one,p-n-butylacetophenone,4'-n-butylacetophenone,unii-6738cf9z8v,1-acetyl-4-butylbenzene,1-4-butyl-phenyl ethanone PubChem CID: 123470 IUPAC Name: 1-(4-butylphenyl)ethan-1-one SMILES: CCCCC1=CC=C(C=C1)C(C)=O
| PubChem CID | 123470 |
|---|---|
| CAS | 37920-25-5 |
| Molecular Weight (g/mol) | 176.26 |
| MDL Number | MFCD00017500 |
| SMILES | CCCCC1=CC=C(C=C1)C(C)=O |
| Synonym | 4'-butylacetophenone,1-4-butylphenyl ethanone,ethanone, 1-4-butylphenyl,p-butylacetophenone,1-4-butylphenyl ethan-1-one,p-n-butylacetophenone,4'-n-butylacetophenone,unii-6738cf9z8v,1-acetyl-4-butylbenzene,1-4-butyl-phenyl ethanone |
| IUPAC Name | 1-(4-butylphenyl)ethan-1-one |
| InChI Key | MQESVSITPLILCO-UHFFFAOYSA-N |
| Molecular Formula | C12H16O |
2-(Bromomethyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane 90.0+%, TCI America™
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CAS: 166330-03-6 Molecular Formula: C7H14BBrO2 Molecular Weight (g/mol): 220.90 MDL Number: MFCD09271779 InChI Key: KBGMAXNDJAGTDD-UHFFFAOYSA-N Synonym: (Bromomethyl)boronic Acid Pinacol Ester PubChem CID: 10955110 IUPAC Name: 2-(bromomethyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane SMILES: CC1(C)OB(CBr)OC1(C)C
| PubChem CID | 10955110 |
|---|---|
| CAS | 166330-03-6 |
| Molecular Weight (g/mol) | 220.90 |
| MDL Number | MFCD09271779 |
| SMILES | CC1(C)OB(CBr)OC1(C)C |
| Synonym | (Bromomethyl)boronic Acid Pinacol Ester |
| IUPAC Name | 2-(bromomethyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane |
| InChI Key | KBGMAXNDJAGTDD-UHFFFAOYSA-N |
| Molecular Formula | C7H14BBrO2 |
[1,3-Bis(diphenylphosphino)propane]palladium(II) Dichloride 98.0+%, TCI America™
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CAS: 59831-02-6 Molecular Formula: C27H26Cl2P2Pd Molecular Weight (g/mol): 589.77 MDL Number: MFCD03844773 InChI Key: LDFBXJODFADZBN-UHFFFAOYSA-L Synonym: Dichloro[1,3-bis(diphenylphosphino)propane]palladium(II) PubChem CID: 131664225 IUPAC Name: palladium(2+) [3-(diphenylphosphanyl)propyl]diphenylphosphane dichloride SMILES: [Cl-].[Cl-].[Pd++].C(CP(C1=CC=CC=C1)C1=CC=CC=C1)CP(C1=CC=CC=C1)C1=CC=CC=C1
| PubChem CID | 131664225 |
|---|---|
| CAS | 59831-02-6 |
| Molecular Weight (g/mol) | 589.77 |
| MDL Number | MFCD03844773 |
| SMILES | [Cl-].[Cl-].[Pd++].C(CP(C1=CC=CC=C1)C1=CC=CC=C1)CP(C1=CC=CC=C1)C1=CC=CC=C1 |
| Synonym | Dichloro[1,3-bis(diphenylphosphino)propane]palladium(II) |
| IUPAC Name | palladium(2+) [3-(diphenylphosphanyl)propyl]diphenylphosphane dichloride |
| InChI Key | LDFBXJODFADZBN-UHFFFAOYSA-L |
| Molecular Formula | C27H26Cl2P2Pd |
p-Xyloquinone 98.0+%, TCI America™
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CAS: 137-18-8 Molecular Formula: C8H8O2 Molecular Weight (g/mol): 136.15 MDL Number: MFCD00041737 InChI Key: MYKLQMNSFPAPLZ-UHFFFAOYSA-N Synonym: 2,5-dimethyl-1,4-benzoquinone,phlorone,p-xyloquinone,2,5-dimethyl-p-benzoquinone,2,5-xyloquinone,2,5-cyclohexadiene-1,4-dione, 2,5-dimethyl,2,5-dimethylquinone,floron,3,6-dimethyl-p-benzoquinone,floron czech PubChem CID: 8718 IUPAC Name: 2,5-dimethylcyclohexa-2,5-diene-1,4-dione SMILES: CC1=CC(=O)C(=CC1=O)C
| PubChem CID | 8718 |
|---|---|
| CAS | 137-18-8 |
| Molecular Weight (g/mol) | 136.15 |
| MDL Number | MFCD00041737 |
| SMILES | CC1=CC(=O)C(=CC1=O)C |
| Synonym | 2,5-dimethyl-1,4-benzoquinone,phlorone,p-xyloquinone,2,5-dimethyl-p-benzoquinone,2,5-xyloquinone,2,5-cyclohexadiene-1,4-dione, 2,5-dimethyl,2,5-dimethylquinone,floron,3,6-dimethyl-p-benzoquinone,floron czech |
| IUPAC Name | 2,5-dimethylcyclohexa-2,5-diene-1,4-dione |
| InChI Key | MYKLQMNSFPAPLZ-UHFFFAOYSA-N |
| Molecular Formula | C8H8O2 |
2'-Chloro-5'-(trifluoromethyl)acetophenone 97.0+%, TCI America™
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CAS: 71648-45-8 Molecular Formula: C9H6ClF3O Molecular Weight (g/mol): 222.591 MDL Number: MFCD00045092 InChI Key: YRGBMTWHOFQSDJ-UHFFFAOYSA-N Synonym: 2'-chloro-5'-trifluoromethyl acetophenone,1-2-chloro-5-trifluoromethyl phenyl ethanone,1-2-chloro-5-trifluoromethyl phenyl ethan-1-one,2-chloro-5-trifluoromethyl acetophenone,acetophenone, 2-chloro-5-trifluoromethyl,3-acetyl-4-chlorobenzotrifluoride,ethanone, 1-2-chloro-5-trifluoromethyl phenyl,1-acetyl-2-chloro-5-trifluoromethyl benzene,pubchem4210 PubChem CID: 144502 IUPAC Name: 1-[2-chloro-5-(trifluoromethyl)phenyl]ethanone SMILES: CC(=O)C1=C(C=CC(=C1)C(F)(F)F)Cl
| PubChem CID | 144502 |
|---|---|
| CAS | 71648-45-8 |
| Molecular Weight (g/mol) | 222.591 |
| MDL Number | MFCD00045092 |
| SMILES | CC(=O)C1=C(C=CC(=C1)C(F)(F)F)Cl |
| Synonym | 2'-chloro-5'-trifluoromethyl acetophenone,1-2-chloro-5-trifluoromethyl phenyl ethanone,1-2-chloro-5-trifluoromethyl phenyl ethan-1-one,2-chloro-5-trifluoromethyl acetophenone,acetophenone, 2-chloro-5-trifluoromethyl,3-acetyl-4-chlorobenzotrifluoride,ethanone, 1-2-chloro-5-trifluoromethyl phenyl,1-acetyl-2-chloro-5-trifluoromethyl benzene,pubchem4210 |
| IUPAC Name | 1-[2-chloro-5-(trifluoromethyl)phenyl]ethanone |
| InChI Key | YRGBMTWHOFQSDJ-UHFFFAOYSA-N |
| Molecular Formula | C9H6ClF3O |
Bis(2-ethylhexyl) Dodecanedioate 94.0+%, TCI America™
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CAS: 19074-24-9 Molecular Formula: C28H54O4 Molecular Weight (g/mol): 454.736 MDL Number: MFCD00144216 InChI Key: MTPSFISGWJGUGN-UHFFFAOYSA-N Synonym: Dodecanedioic Acid Di(2-ethylhexyl) Ester, Di(2-ethylhexyl) Dodecanedioate, Dioctyl Dodecanedioate, Dodecanedioic Acid Dioctyl Ester PubChem CID: 29401 IUPAC Name: bis(2-ethylhexyl) dodecanedioate SMILES: CCCCC(CC)COC(=O)CCCCCCCCCCC(=O)OCC(CC)CCCC
| PubChem CID | 29401 |
|---|---|
| CAS | 19074-24-9 |
| Molecular Weight (g/mol) | 454.736 |
| MDL Number | MFCD00144216 |
| SMILES | CCCCC(CC)COC(=O)CCCCCCCCCCC(=O)OCC(CC)CCCC |
| Synonym | Dodecanedioic Acid Di(2-ethylhexyl) Ester, Di(2-ethylhexyl) Dodecanedioate, Dioctyl Dodecanedioate, Dodecanedioic Acid Dioctyl Ester |
| IUPAC Name | bis(2-ethylhexyl) dodecanedioate |
| InChI Key | MTPSFISGWJGUGN-UHFFFAOYSA-N |
| Molecular Formula | C28H54O4 |
1-Isopropylpiperazine 98.0+%, TCI America™
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CAS: 4318-42-7 Molecular Formula: C7H16N2 Molecular Weight (g/mol): 128.219 MDL Number: MFCD00167971 InChI Key: WHKWMTXTYKVFLK-UHFFFAOYSA-N Synonym: 1-isopropylpiperazine,n-isopropylpiperazine,1-propan-2-yl piperazine,piperazine, 1-isopropyl,isopropyl piperazine,1-isopropyl-piperazine,1-1-methylethyl piperazine,n-isopropyl piperazine,1-isopropyl piperazine,piperazine, 1-1-methylethyl PubChem CID: 78013 IUPAC Name: 1-propan-2-ylpiperazine SMILES: CC(C)N1CCNCC1
| PubChem CID | 78013 |
|---|---|
| CAS | 4318-42-7 |
| Molecular Weight (g/mol) | 128.219 |
| MDL Number | MFCD00167971 |
| SMILES | CC(C)N1CCNCC1 |
| Synonym | 1-isopropylpiperazine,n-isopropylpiperazine,1-propan-2-yl piperazine,piperazine, 1-isopropyl,isopropyl piperazine,1-isopropyl-piperazine,1-1-methylethyl piperazine,n-isopropyl piperazine,1-isopropyl piperazine,piperazine, 1-1-methylethyl |
| IUPAC Name | 1-propan-2-ylpiperazine |
| InChI Key | WHKWMTXTYKVFLK-UHFFFAOYSA-N |
| Molecular Formula | C7H16N2 |
6-Methoxypyridine-2-carboxylic Acid 98.0+%, TCI America™
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CAS: 26893-73-2 Molecular Formula: C7H7NO3 Molecular Weight (g/mol): 153.137 MDL Number: MFCD06800962 InChI Key: KSWBODXXZITTPO-UHFFFAOYSA-N Synonym: 6-methoxypicolinic acid,6-methoxy-2-pyridinecarboxylic acid,2-methoxy-6-picolinic acid,2-methoxy-6-picolinicacid,2-pyridinecarboxylic acid, 6-methoxy,picolinic acid, 6-methoxy,6-methoxy-pyridine-2-carboxylic acid,pubchem15165,6-methoxypyridine-2-carboxylicacid,acmc-1cccg PubChem CID: 570891 IUPAC Name: 6-methoxypyridine-2-carboxylic acid SMILES: COC1=CC=CC(=N1)C(=O)O
| PubChem CID | 570891 |
|---|---|
| CAS | 26893-73-2 |
| Molecular Weight (g/mol) | 153.137 |
| MDL Number | MFCD06800962 |
| SMILES | COC1=CC=CC(=N1)C(=O)O |
| Synonym | 6-methoxypicolinic acid,6-methoxy-2-pyridinecarboxylic acid,2-methoxy-6-picolinic acid,2-methoxy-6-picolinicacid,2-pyridinecarboxylic acid, 6-methoxy,picolinic acid, 6-methoxy,6-methoxy-pyridine-2-carboxylic acid,pubchem15165,6-methoxypyridine-2-carboxylicacid,acmc-1cccg |
| IUPAC Name | 6-methoxypyridine-2-carboxylic acid |
| InChI Key | KSWBODXXZITTPO-UHFFFAOYSA-N |
| Molecular Formula | C7H7NO3 |
5-Chloro-2-(methylthio)benzothiazole 98.0+%, TCI America™
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CAS: 3507-41-3 Molecular Formula: C8H6ClNS2 Molecular Weight (g/mol): 215.713 InChI Key: YINRVZUJQJFNES-UHFFFAOYSA-N PubChem CID: 645746 IUPAC Name: 5-chloro-2-methylsulfanyl-1,3-benzothiazole SMILES: CSC1=NC2=C(S1)C=CC(=C2)Cl
| PubChem CID | 645746 |
|---|---|
| CAS | 3507-41-3 |
| Molecular Weight (g/mol) | 215.713 |
| SMILES | CSC1=NC2=C(S1)C=CC(=C2)Cl |
| IUPAC Name | 5-chloro-2-methylsulfanyl-1,3-benzothiazole |
| InChI Key | YINRVZUJQJFNES-UHFFFAOYSA-N |
| Molecular Formula | C8H6ClNS2 |
L-Cystine Dimethyl Ester Dihydrochloride 96.0+%, TCI America™
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CAS: 32854-09-4 Molecular Formula: C8H18Cl2N2O4S2 Molecular Weight (g/mol): 341.26 MDL Number: MFCD00012490,MFCD00012490,MFCD09951837,MFCD00012490 InChI Key: QKWGUPFPCRKKMQ-UHFFFAOYNA-N Synonym: h-cys-ome 2.2hcl,dimethyl l-cystinate dihydrochloride,h-d-cys-ome 2 2hcl,methyl 2-amino-3-r-2-amino-3-methoxy-3-oxopropyl disulfanyl propanoate dihydrochloride,d-cystine bis methyl ester dihydrochloride,d-cystine dimethyl ester dihydrochloride,h-d-cys-ome 2 hcl,c8h16n2o4s2.2hcl,dimethyl l-cystinate 2hcl,h-d-cys-ome 2 . 2 hcl PubChem CID: 71463656 IUPAC Name: dihydrogen methyl 2-amino-3-[(2-amino-3-methoxy-3-oxopropyl)disulfanyl]propanoate dichloride SMILES: [H+].[H+].[Cl-].[Cl-].COC(=O)C(N)CSSCC(N)C(=O)OC
| PubChem CID | 71463656 |
|---|---|
| CAS | 32854-09-4 |
| Molecular Weight (g/mol) | 341.26 |
| MDL Number | MFCD00012490,MFCD00012490,MFCD09951837,MFCD00012490 |
| SMILES | [H+].[H+].[Cl-].[Cl-].COC(=O)C(N)CSSCC(N)C(=O)OC |
| Synonym | h-cys-ome 2.2hcl,dimethyl l-cystinate dihydrochloride,h-d-cys-ome 2 2hcl,methyl 2-amino-3-r-2-amino-3-methoxy-3-oxopropyl disulfanyl propanoate dihydrochloride,d-cystine bis methyl ester dihydrochloride,d-cystine dimethyl ester dihydrochloride,h-d-cys-ome 2 hcl,c8h16n2o4s2.2hcl,dimethyl l-cystinate 2hcl,h-d-cys-ome 2 . 2 hcl |
| IUPAC Name | dihydrogen methyl 2-amino-3-[(2-amino-3-methoxy-3-oxopropyl)disulfanyl]propanoate dichloride |
| InChI Key | QKWGUPFPCRKKMQ-UHFFFAOYNA-N |
| Molecular Formula | C8H18Cl2N2O4S2 |