Organooxygen compounds
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2,2-Dibromo-4'-fluoroacetophenone, 98%
CAS: 7542-64-5 Molecular Formula: C8H5Br2FO Molecular Weight (g/mol): 295.933 MDL Number: MFCD03791309 InChI Key: XFFGHBAVJPOWDG-UHFFFAOYSA-N Synonym: 2,2-dibromo-1-4-fluorophenyl ethanone,alpha,alpha-dibromo-4-fluoroacetophenone,2,2-dibromo-4'-fluoroacetophenone,4'-fluoro-alpha,alpha-dibromoacetophenone,2,2-dibromo-1-4-fluorophenyl ethan-1-one,2,2-bis bromanyl-1-4-fluorophenyl ethanone PubChem CID: 2783255 IUPAC Name: 2,2-dibromo-1-(4-fluorophenyl)ethanone SMILES: C1=CC(=CC=C1C(=O)C(Br)Br)F
| PubChem CID | 2783255 |
|---|---|
| CAS | 7542-64-5 |
| Molecular Weight (g/mol) | 295.933 |
| MDL Number | MFCD03791309 |
| SMILES | C1=CC(=CC=C1C(=O)C(Br)Br)F |
| Synonym | 2,2-dibromo-1-4-fluorophenyl ethanone,alpha,alpha-dibromo-4-fluoroacetophenone,2,2-dibromo-4'-fluoroacetophenone,4'-fluoro-alpha,alpha-dibromoacetophenone,2,2-dibromo-1-4-fluorophenyl ethan-1-one,2,2-bis bromanyl-1-4-fluorophenyl ethanone |
| IUPAC Name | 2,2-dibromo-1-(4-fluorophenyl)ethanone |
| InChI Key | XFFGHBAVJPOWDG-UHFFFAOYSA-N |
| Molecular Formula | C8H5Br2FO |
3,5-Dibromosalicylaldehyde, 98%
CAS: 90-59-5 MDL Number: MFCD00003318 InChI Key: JHZOXYGFQMROFJ-UHFFFAOYSA-N Synonym: 3,5-dibromosalicylaldehyde,dalyde,3,5-dibromosalicylaldeyde,benzaldehyde, 3,5-dibromo-2-hydroxy,2-hydroxy-3,5-dibromobenzaldehyde,3,5-dibromosilicylaldehyde,unii-7a260pbi3a,salicylaldehyde, 3,5-dibromo,3,5-dibromsalicylaldehyd,3,5-dibromo salicyclic aldehyde PubChem CID: 7024 IUPAC Name: 3,5-dibromo-2-hydroxybenzaldehyde SMILES: C1=C(C=C(C(=C1Br)O)C=O)Br
| PubChem CID | 7024 |
|---|---|
| CAS | 90-59-5 |
| MDL Number | MFCD00003318 |
| SMILES | C1=C(C=C(C(=C1Br)O)C=O)Br |
| Synonym | 3,5-dibromosalicylaldehyde,dalyde,3,5-dibromosalicylaldeyde,benzaldehyde, 3,5-dibromo-2-hydroxy,2-hydroxy-3,5-dibromobenzaldehyde,3,5-dibromosilicylaldehyde,unii-7a260pbi3a,salicylaldehyde, 3,5-dibromo,3,5-dibromsalicylaldehyd,3,5-dibromo salicyclic aldehyde |
| IUPAC Name | 3,5-dibromo-2-hydroxybenzaldehyde |
| InChI Key | JHZOXYGFQMROFJ-UHFFFAOYSA-N |
2-Bromo-2-phenylacetophenone, 97%
CAS: 1484-50-0 Molecular Formula: C14H11BrO Molecular Weight (g/mol): 275.13 MDL Number: MFCD00000136 InChI Key: ZFFBIQMNKOJDJE-UHFFFAOYSA-N PubChem CID: 102630 IUPAC Name: 2-bromo-1,2-diphenylethanone SMILES: C1=CC=C(C=C1)C(C(=O)C2=CC=CC=C2)Br
| PubChem CID | 102630 |
|---|---|
| CAS | 1484-50-0 |
| Molecular Weight (g/mol) | 275.13 |
| MDL Number | MFCD00000136 |
| SMILES | C1=CC=C(C=C1)C(C(=O)C2=CC=CC=C2)Br |
| IUPAC Name | 2-bromo-1,2-diphenylethanone |
| InChI Key | ZFFBIQMNKOJDJE-UHFFFAOYSA-N |
| Molecular Formula | C14H11BrO |
4'-Hydroxyoctanophenone, 99%
CAS: 2589-73-3 Molecular Formula: C14H20O2 Molecular Weight (g/mol): 220.31 MDL Number: MFCD00082694 InChI Key: GPDYSJOGSNWMDZ-UHFFFAOYSA-N Synonym: 4-octanoylphenol,1-4-hydroxyphenyl octan-1-one,4'-hydroxyoctanophenone,1-octanone, 1-4-hydroxyphenyl,octanophenone, 4'-hydroxy,unii-e2e77z6duk,e2e77z6duk,1-4-hydroxyphenyl-1-octanone PubChem CID: 75767 IUPAC Name: 1-(4-hydroxyphenyl)octan-1-one SMILES: CCCCCCCC(=O)C1=CC=C(O)C=C1
| PubChem CID | 75767 |
|---|---|
| CAS | 2589-73-3 |
| Molecular Weight (g/mol) | 220.31 |
| MDL Number | MFCD00082694 |
| SMILES | CCCCCCCC(=O)C1=CC=C(O)C=C1 |
| Synonym | 4-octanoylphenol,1-4-hydroxyphenyl octan-1-one,4'-hydroxyoctanophenone,1-octanone, 1-4-hydroxyphenyl,octanophenone, 4'-hydroxy,unii-e2e77z6duk,e2e77z6duk,1-4-hydroxyphenyl-1-octanone |
| IUPAC Name | 1-(4-hydroxyphenyl)octan-1-one |
| InChI Key | GPDYSJOGSNWMDZ-UHFFFAOYSA-N |
| Molecular Formula | C14H20O2 |
4-Morpholinepropionitrile, 98+%
CAS: 4542-47-6 Molecular Formula: C7H12N2O Molecular Weight (g/mol): 140.186 MDL Number: MFCD00006178 InChI Key: WXVKGHVDWWXBJX-UHFFFAOYSA-N Synonym: 3-morpholinopropionitrile,3-morpholin-4-yl propanenitrile,3-4-morpholino propionitrile,4-morpholinepropanenitrile,cyanoethylmorpholine,4-morpholinepropionitrile,beta-morpholinopropionitrile,n-2-cyanoethyl morpholine,propionitrile, 3-morpholino,3-morpholinopropanenitrile PubChem CID: 78298 IUPAC Name: 3-morpholin-4-ylpropanenitrile SMILES: C1COCCN1CCC#N
| PubChem CID | 78298 |
|---|---|
| CAS | 4542-47-6 |
| Molecular Weight (g/mol) | 140.186 |
| MDL Number | MFCD00006178 |
| SMILES | C1COCCN1CCC#N |
| Synonym | 3-morpholinopropionitrile,3-morpholin-4-yl propanenitrile,3-4-morpholino propionitrile,4-morpholinepropanenitrile,cyanoethylmorpholine,4-morpholinepropionitrile,beta-morpholinopropionitrile,n-2-cyanoethyl morpholine,propionitrile, 3-morpholino,3-morpholinopropanenitrile |
| IUPAC Name | 3-morpholin-4-ylpropanenitrile |
| InChI Key | WXVKGHVDWWXBJX-UHFFFAOYSA-N |
| Molecular Formula | C7H12N2O |
1-Indanone, 99+%
CAS: 83-33-0 Molecular Formula: C9H8O Molecular Weight (g/mol): 132.162 MDL Number: MFCD00003785 InChI Key: QNXSIUBBGPHDDE-UHFFFAOYSA-N Synonym: 1-indanone,indan-1-one,2,3-dihydro-1h-inden-1-one,indanone,alpha-indanone,alpha-hydrindone,1h-inden-1-one, 2,3-dihydro,1-indone,hydrindone,.alpha.-indanone PubChem CID: 6735 ChEBI: CHEBI:17404 IUPAC Name: 2,3-dihydroinden-1-one SMILES: C1CC(=O)C2=CC=CC=C21
| PubChem CID | 6735 |
|---|---|
| CAS | 83-33-0 |
| Molecular Weight (g/mol) | 132.162 |
| ChEBI | CHEBI:17404 |
| MDL Number | MFCD00003785 |
| SMILES | C1CC(=O)C2=CC=CC=C21 |
| Synonym | 1-indanone,indan-1-one,2,3-dihydro-1h-inden-1-one,indanone,alpha-indanone,alpha-hydrindone,1h-inden-1-one, 2,3-dihydro,1-indone,hydrindone,.alpha.-indanone |
| IUPAC Name | 2,3-dihydroinden-1-one |
| InChI Key | QNXSIUBBGPHDDE-UHFFFAOYSA-N |
| Molecular Formula | C9H8O |
Methyl 4-formylbenzoate, 99%
CAS: 1571-08-0 Molecular Formula: C9H8O3 Molecular Weight (g/mol): 164.16 MDL Number: MFCD00006950 InChI Key: FEIOASZZURHTHB-UHFFFAOYSA-N Synonym: methyl p-formylbenzoate,4-carbomethoxybenzaldehyde,methyl terephthalaldehydate,4-methoxycarbonyl benzaldehyde,benzoic acid, 4-formyl-, methyl ester,p-carbomethoxybenzaldehyde,methyl terephthaldehydate,methyl4-formylbenzoate,4-formylbenzoic acid methyl ester,methyl-p-formyl benzoate PubChem CID: 15294 IUPAC Name: methyl 4-formylbenzoate SMILES: COC(=O)C1=CC=C(C=O)C=C1
| PubChem CID | 15294 |
|---|---|
| CAS | 1571-08-0 |
| Molecular Weight (g/mol) | 164.16 |
| MDL Number | MFCD00006950 |
| SMILES | COC(=O)C1=CC=C(C=O)C=C1 |
| Synonym | methyl p-formylbenzoate,4-carbomethoxybenzaldehyde,methyl terephthalaldehydate,4-methoxycarbonyl benzaldehyde,benzoic acid, 4-formyl-, methyl ester,p-carbomethoxybenzaldehyde,methyl terephthaldehydate,methyl4-formylbenzoate,4-formylbenzoic acid methyl ester,methyl-p-formyl benzoate |
| IUPAC Name | methyl 4-formylbenzoate |
| InChI Key | FEIOASZZURHTHB-UHFFFAOYSA-N |
| Molecular Formula | C9H8O3 |
3-Phenyl-2-propyn-1-ol, 98+%
CAS: 1504-58-1 Molecular Formula: C9H8O Molecular Weight (g/mol): 132.162 MDL Number: MFCD00040914 InChI Key: NITUNGCLDSFVDL-UHFFFAOYSA-N Synonym: 3-phenyl-2-propyn-1-ol,2-propyn-1-ol, 3-phenyl,3-phenyl-prop-2-yn-1-ol,1-hydroxymethyl-2-phenylacetylene,1-phenyl-1-propyn-3-ol,pubchem13580,3-phenyl-2-propyn1-ol,3-phenylpropargyl alcohol,acmc-1bs1u,1-phenyl-propyn-3-ol PubChem CID: 123115 IUPAC Name: 3-phenylprop-2-yn-1-ol SMILES: C1=CC=C(C=C1)C#CCO
| PubChem CID | 123115 |
|---|---|
| CAS | 1504-58-1 |
| Molecular Weight (g/mol) | 132.162 |
| MDL Number | MFCD00040914 |
| SMILES | C1=CC=C(C=C1)C#CCO |
| Synonym | 3-phenyl-2-propyn-1-ol,2-propyn-1-ol, 3-phenyl,3-phenyl-prop-2-yn-1-ol,1-hydroxymethyl-2-phenylacetylene,1-phenyl-1-propyn-3-ol,pubchem13580,3-phenyl-2-propyn1-ol,3-phenylpropargyl alcohol,acmc-1bs1u,1-phenyl-propyn-3-ol |
| IUPAC Name | 3-phenylprop-2-yn-1-ol |
| InChI Key | NITUNGCLDSFVDL-UHFFFAOYSA-N |
| Molecular Formula | C9H8O |
2-Bromoethyl methyl ether, 95%
CAS: 6482-24-2 Molecular Formula: C3H7BrO Molecular Weight (g/mol): 138.99 MDL Number: MFCD00000236 InChI Key: YZUPZGFPHUVJKC-UHFFFAOYSA-N Synonym: 2-bromoethyl methyl ether,2-methoxyethyl bromide,ethane, 1-bromo-2-methoxy,ether, 2-bromoethyl methyl,methoxyethyl bromide,2-bromoethylmethylether,bromoethyl methyl ether,2-bromoethylmethyl ether,2-bromoethylmethyl-ether,2-bromo-1-methoxyethane PubChem CID: 80972 IUPAC Name: 1-bromo-2-methoxyethane SMILES: COCCBr
| PubChem CID | 80972 |
|---|---|
| CAS | 6482-24-2 |
| Molecular Weight (g/mol) | 138.99 |
| MDL Number | MFCD00000236 |
| SMILES | COCCBr |
| Synonym | 2-bromoethyl methyl ether,2-methoxyethyl bromide,ethane, 1-bromo-2-methoxy,ether, 2-bromoethyl methyl,methoxyethyl bromide,2-bromoethylmethylether,bromoethyl methyl ether,2-bromoethylmethyl ether,2-bromoethylmethyl-ether,2-bromo-1-methoxyethane |
| IUPAC Name | 1-bromo-2-methoxyethane |
| InChI Key | YZUPZGFPHUVJKC-UHFFFAOYSA-N |
| Molecular Formula | C3H7BrO |
4'-Benzyloxyacetophenone, 98%
CAS: 54696-05-8 Molecular Formula: C15H14O2 Molecular Weight (g/mol): 226.275 MDL Number: MFCD00017247 InChI Key: MKYMYZJJFMPDOA-UHFFFAOYSA-N Synonym: 4'-benzyloxyacetophenone,1-4-benzyloxy phenyl ethanone,4-benzyloxyacetophenone,4'-benzyloxy-acetophenone,1-4-benzyloxy phenyl ethan-1-one,ethanone, 1-4-phenylmethoxy phenyl,4'-benzyloxy acetophenone,1-4-benzyloxyphenyl ethanone PubChem CID: 245226 IUPAC Name: 1-(4-phenylmethoxyphenyl)ethanone SMILES: CC(=O)C1=CC=C(C=C1)OCC2=CC=CC=C2
| PubChem CID | 245226 |
|---|---|
| CAS | 54696-05-8 |
| Molecular Weight (g/mol) | 226.275 |
| MDL Number | MFCD00017247 |
| SMILES | CC(=O)C1=CC=C(C=C1)OCC2=CC=CC=C2 |
| Synonym | 4'-benzyloxyacetophenone,1-4-benzyloxy phenyl ethanone,4-benzyloxyacetophenone,4'-benzyloxy-acetophenone,1-4-benzyloxy phenyl ethan-1-one,ethanone, 1-4-phenylmethoxy phenyl,4'-benzyloxy acetophenone,1-4-benzyloxyphenyl ethanone |
| IUPAC Name | 1-(4-phenylmethoxyphenyl)ethanone |
| InChI Key | MKYMYZJJFMPDOA-UHFFFAOYSA-N |
| Molecular Formula | C15H14O2 |
Diethyl n-propylmalonate, 99%
CAS: 2163-48-6 Molecular Formula: C10H18O4 Molecular Weight (g/mol): 202.25 MDL Number: MFCD00009168 InChI Key: GRRSDGHTSMJICM-UHFFFAOYSA-N Synonym: diethyl propylmalonate,diethyl 2-propylmalonate,1,3-diethyl 2-propylpropanedioate,diethyl n-propylmalonate,diethylpropylmalonate,propylmalonic acid diethyl ester,propanedioic acid, propyl-, diethyl ester,diethyl-n-propylmalonate,malonic acid, propyl-, diethyl ester,diethyl propyl malonate PubChem CID: 16552 IUPAC Name: diethyl 2-propylpropanedioate SMILES: CCCC(C(=O)OCC)C(=O)OCC
| PubChem CID | 16552 |
|---|---|
| CAS | 2163-48-6 |
| Molecular Weight (g/mol) | 202.25 |
| MDL Number | MFCD00009168 |
| SMILES | CCCC(C(=O)OCC)C(=O)OCC |
| Synonym | diethyl propylmalonate,diethyl 2-propylmalonate,1,3-diethyl 2-propylpropanedioate,diethyl n-propylmalonate,diethylpropylmalonate,propylmalonic acid diethyl ester,propanedioic acid, propyl-, diethyl ester,diethyl-n-propylmalonate,malonic acid, propyl-, diethyl ester,diethyl propyl malonate |
| IUPAC Name | diethyl 2-propylpropanedioate |
| InChI Key | GRRSDGHTSMJICM-UHFFFAOYSA-N |
| Molecular Formula | C10H18O4 |
1-(1-Benzofuran-3-yl)-2-bromo-1-ethanone, 95+%, Thermo Scientific™
CAS: 187657-92-7 Molecular Formula: C10H7BrO2 Molecular Weight (g/mol): 239.07 MDL Number: MFCD03407369 InChI Key: WVHFTONHSRLBGL-UHFFFAOYSA-N Synonym: 1-benzofuran-3-yl-2-bromoethanone,1-1-benzofuran-3-yl-2-bromo-1-ethanone,1-1-benzofuran-3-yl-2-bromoethanone,1-benzofuran-3-yl-2-bromoethan-1-one,1-1-benzofuran-3-yl-2-bromoethan-1-one,ethanone,1-3-benzofuranyl-2-bromo,1-benzofuran-3-yl-2-bromo-1-ethanone,pubchem7014,3-2-bromoacetyl benzo b furan,1-benzofuran-3-yl-2-bromo-ethanone PubChem CID: 2776580 IUPAC Name: 1-(1-benzofuran-3-yl)-2-bromoethanone SMILES: BrCC(=O)C1=COC2=CC=CC=C12
| PubChem CID | 2776580 |
|---|---|
| CAS | 187657-92-7 |
| Molecular Weight (g/mol) | 239.07 |
| MDL Number | MFCD03407369 |
| SMILES | BrCC(=O)C1=COC2=CC=CC=C12 |
| Synonym | 1-benzofuran-3-yl-2-bromoethanone,1-1-benzofuran-3-yl-2-bromo-1-ethanone,1-1-benzofuran-3-yl-2-bromoethanone,1-benzofuran-3-yl-2-bromoethan-1-one,1-1-benzofuran-3-yl-2-bromoethan-1-one,ethanone,1-3-benzofuranyl-2-bromo,1-benzofuran-3-yl-2-bromo-1-ethanone,pubchem7014,3-2-bromoacetyl benzo b furan,1-benzofuran-3-yl-2-bromo-ethanone |
| IUPAC Name | 1-(1-benzofuran-3-yl)-2-bromoethanone |
| InChI Key | WVHFTONHSRLBGL-UHFFFAOYSA-N |
| Molecular Formula | C10H7BrO2 |
1-Eicosanol, 96%
CAS: 629-96-9 Molecular Formula: C20H42O Molecular Weight (g/mol): 298.56 MDL Number: MFCD00002938 InChI Key: BTFJIXJJCSYFAL-UHFFFAOYSA-N Synonym: 1-eicosanol,arachidyl alcohol,n-eicosanol,arachidic alcohol,arachic alcohol,eicosyl alcohol,eicosan-1-ol,eicosanol,1-icosanol,n-1-eicosanol PubChem CID: 12404 ChEBI: CHEBI:75627 IUPAC Name: icosan-1-ol SMILES: CCCCCCCCCCCCCCCCCCCCO
| PubChem CID | 12404 |
|---|---|
| CAS | 629-96-9 |
| Molecular Weight (g/mol) | 298.56 |
| ChEBI | CHEBI:75627 |
| MDL Number | MFCD00002938 |
| SMILES | CCCCCCCCCCCCCCCCCCCCO |
| Synonym | 1-eicosanol,arachidyl alcohol,n-eicosanol,arachidic alcohol,arachic alcohol,eicosyl alcohol,eicosan-1-ol,eicosanol,1-icosanol,n-1-eicosanol |
| IUPAC Name | icosan-1-ol |
| InChI Key | BTFJIXJJCSYFAL-UHFFFAOYSA-N |
| Molecular Formula | C20H42O |
2-Isopropoxypyridine-3-carboxaldehyde, 98%
CAS: 885278-10-4 Molecular Formula: C9H11NO2 Molecular Weight (g/mol): 165.19 MDL Number: MFCD06804560 InChI Key: GNTQOKGIVMJHQG-UHFFFAOYSA-N Synonym: 2-isopropoxynicotinaldehyde,2-isopropoxypyridine-3-carboxaldehyde,2-isopropoxy-pyridine-3-carbaldehyde,2-isopropoxypyridine-3-carbaldehyde,2-propan-2-yl-oxy pyridine-3-carbaldehyde,acmc-20anso,2-methylethoxy pyridine-3-carbaldehyde,2-propan-2-yloxy pyridine-3-carbaldehyde,2-propan-2-yl oxy pyridine-3-carbaldehyde,3-pyridinecarboxaldehyde,2-1-methylethoxy PubChem CID: 42553128 IUPAC Name: 2-propan-2-yloxypyridine-3-carbaldehyde SMILES: CC(C)OC1=C(C=O)C=CC=N1
| PubChem CID | 42553128 |
|---|---|
| CAS | 885278-10-4 |
| Molecular Weight (g/mol) | 165.19 |
| MDL Number | MFCD06804560 |
| SMILES | CC(C)OC1=C(C=O)C=CC=N1 |
| Synonym | 2-isopropoxynicotinaldehyde,2-isopropoxypyridine-3-carboxaldehyde,2-isopropoxy-pyridine-3-carbaldehyde,2-isopropoxypyridine-3-carbaldehyde,2-propan-2-yl-oxy pyridine-3-carbaldehyde,acmc-20anso,2-methylethoxy pyridine-3-carbaldehyde,2-propan-2-yloxy pyridine-3-carbaldehyde,2-propan-2-yl oxy pyridine-3-carbaldehyde,3-pyridinecarboxaldehyde,2-1-methylethoxy |
| IUPAC Name | 2-propan-2-yloxypyridine-3-carbaldehyde |
| InChI Key | GNTQOKGIVMJHQG-UHFFFAOYSA-N |
| Molecular Formula | C9H11NO2 |
Methyl 4-acetylbenzoate, 99+%
CAS: 3609-53-8 Molecular Formula: C10H10O3 Molecular Weight (g/mol): 178.19 MDL Number: MFCD00216474 InChI Key: QNTSFZXGLAHYLC-UHFFFAOYSA-N Synonym: benzoic acid, 4-acetyl-, methyl ester,unii-3s3d53j4nt,4-acetylbenzoic acid methyl ester,methyl4-acetylbenzoate,4-acetyl-benzoic acid methyl ester,methyl 4-acetyl benzoate,pubchem22273,acmc-209ikx,#,ksc497k9b PubChem CID: 137990 IUPAC Name: methyl 4-acetylbenzoate SMILES: CC(=O)C1=CC=C(C=C1)C(=O)OC
| PubChem CID | 137990 |
|---|---|
| CAS | 3609-53-8 |
| Molecular Weight (g/mol) | 178.19 |
| MDL Number | MFCD00216474 |
| SMILES | CC(=O)C1=CC=C(C=C1)C(=O)OC |
| Synonym | benzoic acid, 4-acetyl-, methyl ester,unii-3s3d53j4nt,4-acetylbenzoic acid methyl ester,methyl4-acetylbenzoate,4-acetyl-benzoic acid methyl ester,methyl 4-acetyl benzoate,pubchem22273,acmc-209ikx,#,ksc497k9b |
| IUPAC Name | methyl 4-acetylbenzoate |
| InChI Key | QNTSFZXGLAHYLC-UHFFFAOYSA-N |
| Molecular Formula | C10H10O3 |