Organooxygen compounds
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2-Bromo-3-pentanone 95.0+%, TCI America™
CAS: 815-52-1 Molecular Formula: C5H9BrO Molecular Weight (g/mol): 165.03 MDL Number: MFCD11036312 InChI Key: VUDTYIUNUSPULX-UHFFFAOYSA-N PubChem CID: 545092 IUPAC Name: 2-bromopentan-3-one SMILES: CCC(=O)C(C)Br
| PubChem CID | 545092 |
|---|---|
| CAS | 815-52-1 |
| Molecular Weight (g/mol) | 165.03 |
| MDL Number | MFCD11036312 |
| SMILES | CCC(=O)C(C)Br |
| IUPAC Name | 2-bromopentan-3-one |
| InChI Key | VUDTYIUNUSPULX-UHFFFAOYSA-N |
| Molecular Formula | C5H9BrO |
4,4'-Dibromobenzil 97.0+%, TCI America™
CAS: 35578-47-3 Molecular Formula: C14H8Br2O2 Molecular Weight (g/mol): 368.024 MDL Number: MFCD00000104 InChI Key: NYCBYBDDECLFPE-UHFFFAOYSA-N Synonym: 4,4'-dibromobenzil,ethanedione, bis 4-bromophenyl,p,p'-dibromobenzil,1,2-bis 4-bromophenyl ethane-1,2-dione,benzyl, 4,4'-dibromo,unii-o4txv8a656,bis 4-bromophenyl ethanedione,1,2-ethanedione, 1,2-bis 4-bromophenyl,bis 4-bromophenyl ethane-1,2-dione,1,2-bis-4-bromo-phenyl-ethane-1,2-dione PubChem CID: 96430 IUPAC Name: 1,2-bis(4-bromophenyl)ethane-1,2-dione SMILES: C1=CC(=CC=C1C(=O)C(=O)C2=CC=C(C=C2)Br)Br
| PubChem CID | 96430 |
|---|---|
| CAS | 35578-47-3 |
| Molecular Weight (g/mol) | 368.024 |
| MDL Number | MFCD00000104 |
| SMILES | C1=CC(=CC=C1C(=O)C(=O)C2=CC=C(C=C2)Br)Br |
| Synonym | 4,4'-dibromobenzil,ethanedione, bis 4-bromophenyl,p,p'-dibromobenzil,1,2-bis 4-bromophenyl ethane-1,2-dione,benzyl, 4,4'-dibromo,unii-o4txv8a656,bis 4-bromophenyl ethanedione,1,2-ethanedione, 1,2-bis 4-bromophenyl,bis 4-bromophenyl ethane-1,2-dione,1,2-bis-4-bromo-phenyl-ethane-1,2-dione |
| IUPAC Name | 1,2-bis(4-bromophenyl)ethane-1,2-dione |
| InChI Key | NYCBYBDDECLFPE-UHFFFAOYSA-N |
| Molecular Formula | C14H8Br2O2 |
Methyl 3-Bromopyruvate 97.0+%, TCI America™
CAS: 7425-63-0 Molecular Formula: C4H5BrO3 Molecular Weight (g/mol): 180.99 MDL Number: MFCD01862963 InChI Key: MQONVZMIFQQQHA-UHFFFAOYSA-N Synonym: 3-Bromo-2-oxopropionic Acid Methyl Ester, 3-Bromopyruvic Acid Methyl Ester, Methyl 3-Bromo-2-oxopropionate PubChem CID: 352524 IUPAC Name: methyl 3-bromo-2-oxopropanoate SMILES: COC(=O)C(=O)CBr
| PubChem CID | 352524 |
|---|---|
| CAS | 7425-63-0 |
| Molecular Weight (g/mol) | 180.99 |
| MDL Number | MFCD01862963 |
| SMILES | COC(=O)C(=O)CBr |
| Synonym | 3-Bromo-2-oxopropionic Acid Methyl Ester, 3-Bromopyruvic Acid Methyl Ester, Methyl 3-Bromo-2-oxopropionate |
| IUPAC Name | methyl 3-bromo-2-oxopropanoate |
| InChI Key | MQONVZMIFQQQHA-UHFFFAOYSA-N |
| Molecular Formula | C4H5BrO3 |
5-Bromo-1-methylisatin 98.0+%, TCI America™
CAS: 2058-72-2 Molecular Formula: C9H6BrNO2 Molecular Weight (g/mol): 240.06 MDL Number: MFCD00456313 InChI Key: GEEDYJPPYNIZLX-UHFFFAOYSA-N Synonym: 5-Bromo-1-methylindole-2,3-dione, 5-Bromo-1-methyl-2,3-indolinedione PubChem CID: 16357 IUPAC Name: 5-bromo-1-methyl-2,3-dihydro-1H-indole-2,3-dione SMILES: CN1C(=O)C(=O)C2=CC(Br)=CC=C12
| PubChem CID | 16357 |
|---|---|
| CAS | 2058-72-2 |
| Molecular Weight (g/mol) | 240.06 |
| MDL Number | MFCD00456313 |
| SMILES | CN1C(=O)C(=O)C2=CC(Br)=CC=C12 |
| Synonym | 5-Bromo-1-methylindole-2,3-dione, 5-Bromo-1-methyl-2,3-indolinedione |
| IUPAC Name | 5-bromo-1-methyl-2,3-dihydro-1H-indole-2,3-dione |
| InChI Key | GEEDYJPPYNIZLX-UHFFFAOYSA-N |
| Molecular Formula | C9H6BrNO2 |
2',4',6'-Trifluoroacetophenone 98.0+%, TCI America™
CAS: 51788-77-3 Molecular Formula: C8H5F3O Molecular Weight (g/mol): 174.12 MDL Number: MFCD00061194 InChI Key: FFJSZHCBWFPSJI-UHFFFAOYSA-N Synonym: 2',4',6'-trifluoroacetophenone,1-2,4,6-trifluorophenyl ethanone,2,4,6-trifluoroacetophenone,1-2,4,6-trifluorophenyl ethan-1-one,ethanone, 1-2,4,6-trifluorophenyl,1-2,4,6-trifluoro-phenyl-ethanone,1-acetyl-2,4,6-trifluorobenzene,pubchem4290,acmc-209kvx,2',4,6'-trifluoroacetophenone PubChem CID: 2776906 IUPAC Name: 1-(2,4,6-trifluorophenyl)ethan-1-one SMILES: CC(=O)C1=C(F)C=C(F)C=C1F
| PubChem CID | 2776906 |
|---|---|
| CAS | 51788-77-3 |
| Molecular Weight (g/mol) | 174.12 |
| MDL Number | MFCD00061194 |
| SMILES | CC(=O)C1=C(F)C=C(F)C=C1F |
| Synonym | 2',4',6'-trifluoroacetophenone,1-2,4,6-trifluorophenyl ethanone,2,4,6-trifluoroacetophenone,1-2,4,6-trifluorophenyl ethan-1-one,ethanone, 1-2,4,6-trifluorophenyl,1-2,4,6-trifluoro-phenyl-ethanone,1-acetyl-2,4,6-trifluorobenzene,pubchem4290,acmc-209kvx,2',4,6'-trifluoroacetophenone |
| IUPAC Name | 1-(2,4,6-trifluorophenyl)ethan-1-one |
| InChI Key | FFJSZHCBWFPSJI-UHFFFAOYSA-N |
| Molecular Formula | C8H5F3O |
3'-Dimethylaminoacetophenone 98.0+%, TCI America™
CAS: 18992-80-8 Molecular Formula: C10H13NO Molecular Weight (g/mol): 163.22 MDL Number: MFCD00059343 InChI Key: KYEMJVGXLJXCSM-UHFFFAOYSA-N PubChem CID: 519620 IUPAC Name: 1-[3-(dimethylamino)phenyl]ethanone SMILES: CC(=O)C1=CC(=CC=C1)N(C)C
| PubChem CID | 519620 |
|---|---|
| CAS | 18992-80-8 |
| Molecular Weight (g/mol) | 163.22 |
| MDL Number | MFCD00059343 |
| SMILES | CC(=O)C1=CC(=CC=C1)N(C)C |
| IUPAC Name | 1-[3-(dimethylamino)phenyl]ethanone |
| InChI Key | KYEMJVGXLJXCSM-UHFFFAOYSA-N |
| Molecular Formula | C10H13NO |
3-(4-Bromobenzoyl)propionic Acid 98.0+%, TCI America™
CAS: 6340-79-0 Molecular Formula: C10H9BrO3 Molecular Weight (g/mol): 257.08 MDL Number: MFCD00016563 InChI Key: ZODFRCZNTXLDDW-UHFFFAOYSA-N Synonym: 3-4-bromobenzoyl propionic acid,4-4-bromophenyl-4-oxobutanoic acid,3-p-bromobenzoyl propionic acid,4-4-bromo-phenyl-4-oxo-butyric acid,3-4-bromobenzoyl propanoic acid,4-4-bromophenyl-4-oxobutyric acid,4-4-bromophenyl-4-oxo-butyric acid,4-4-bromophenyl-4-oxo-butanoic acid,benzenebutanoic acid, 4-bromo-gamma-oxo,4-bromo-gamma-oxo-benzenebutanoic acid PubChem CID: 80646 IUPAC Name: 4-(4-bromophenyl)-4-oxobutanoic acid SMILES: OC(=O)CCC(=O)C1=CC=C(Br)C=C1
| PubChem CID | 80646 |
|---|---|
| CAS | 6340-79-0 |
| Molecular Weight (g/mol) | 257.08 |
| MDL Number | MFCD00016563 |
| SMILES | OC(=O)CCC(=O)C1=CC=C(Br)C=C1 |
| Synonym | 3-4-bromobenzoyl propionic acid,4-4-bromophenyl-4-oxobutanoic acid,3-p-bromobenzoyl propionic acid,4-4-bromo-phenyl-4-oxo-butyric acid,3-4-bromobenzoyl propanoic acid,4-4-bromophenyl-4-oxobutyric acid,4-4-bromophenyl-4-oxo-butyric acid,4-4-bromophenyl-4-oxo-butanoic acid,benzenebutanoic acid, 4-bromo-gamma-oxo,4-bromo-gamma-oxo-benzenebutanoic acid |
| IUPAC Name | 4-(4-bromophenyl)-4-oxobutanoic acid |
| InChI Key | ZODFRCZNTXLDDW-UHFFFAOYSA-N |
| Molecular Formula | C10H9BrO3 |
Haloperidol 98.0+%, TCI America™
CAS: 52-86-8 Molecular Formula: C21H23ClFNO2 Molecular Weight (g/mol): 375.87 MDL Number: MFCD00051423 InChI Key: LNEPOXFFQSENCJ-UHFFFAOYSA-N Synonym: haloperidol,haldol,aloperidin,serenace,aloperidol,brotopon,eukystol,einalon s,aloperidolo,galoperidol PubChem CID: 3559 ChEBI: CHEBI:5613 IUPAC Name: 4-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-1-(4-fluorophenyl)butan-1-one SMILES: OC1(CCN(CCCC(=O)C2=CC=C(F)C=C2)CC1)C1=CC=C(Cl)C=C1
| PubChem CID | 3559 |
|---|---|
| CAS | 52-86-8 |
| Molecular Weight (g/mol) | 375.87 |
| ChEBI | CHEBI:5613 |
| MDL Number | MFCD00051423 |
| SMILES | OC1(CCN(CCCC(=O)C2=CC=C(F)C=C2)CC1)C1=CC=C(Cl)C=C1 |
| Synonym | haloperidol,haldol,aloperidin,serenace,aloperidol,brotopon,eukystol,einalon s,aloperidolo,galoperidol |
| IUPAC Name | 4-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-1-(4-fluorophenyl)butan-1-one |
| InChI Key | LNEPOXFFQSENCJ-UHFFFAOYSA-N |
| Molecular Formula | C21H23ClFNO2 |
(3-Chlorobenzoyl)acetonitrile 97.0+%, TCI America™
CAS: 21667-62-9 Molecular Formula: C9H6ClNO Molecular Weight (g/mol): 179.60 MDL Number: MFCD00067891 InChI Key: IUDFNNHFARLIPF-UHFFFAOYSA-N Synonym: 3-chlorobenzoylacetonitrile,3-3-chlorophenyl-3-oxopropanenitrile,3-chlorophenacylcyanide,3-chlorobenzoyl acetonitrile,3-3-chlorophenyl-3-oxo-propanenitrile,beta-ketonitrile 5b,pubchem12046,m-chlorophenacyl cyanide,acmc-1cqmb,maybridge1_004670 PubChem CID: 140855 IUPAC Name: 3-(3-chlorophenyl)-3-oxopropanenitrile SMILES: ClC1=CC=CC(=C1)C(=O)CC#N
| PubChem CID | 140855 |
|---|---|
| CAS | 21667-62-9 |
| Molecular Weight (g/mol) | 179.60 |
| MDL Number | MFCD00067891 |
| SMILES | ClC1=CC=CC(=C1)C(=O)CC#N |
| Synonym | 3-chlorobenzoylacetonitrile,3-3-chlorophenyl-3-oxopropanenitrile,3-chlorophenacylcyanide,3-chlorobenzoyl acetonitrile,3-3-chlorophenyl-3-oxo-propanenitrile,beta-ketonitrile 5b,pubchem12046,m-chlorophenacyl cyanide,acmc-1cqmb,maybridge1_004670 |
| IUPAC Name | 3-(3-chlorophenyl)-3-oxopropanenitrile |
| InChI Key | IUDFNNHFARLIPF-UHFFFAOYSA-N |
| Molecular Formula | C9H6ClNO |
4'-Bromo-3'-nitroacetophenone 98.0+%, TCI America™
CAS: 18640-58-9 Molecular Formula: C8H6BrNO3 Molecular Weight (g/mol): 244.04 MDL Number: MFCD00016985 InChI Key: YFVOFFKNHQTQQE-UHFFFAOYSA-N Synonym: 1-4-bromo-3-nitrophenyl ethanone,4'-bromo-3'-nitroacetophenone,1-4-bromo-3-nitrophenyl ethan-1-one,4-bromo-3-nitroacetophenone,4-bromo-3'-nitroacetophenone,ethanone, 1-4-bromo-3-nitrophenyl,acmc-209eny,3-nitro-4-bromoacetophenone,4-bromo-3-nitro acetophenone,3'-nitro-4'-bromoacetophenone PubChem CID: 87737 IUPAC Name: 1-(4-bromo-3-nitrophenyl)ethan-1-one SMILES: CC(=O)C1=CC=C(Br)C(=C1)[N+]([O-])=O
| PubChem CID | 87737 |
|---|---|
| CAS | 18640-58-9 |
| Molecular Weight (g/mol) | 244.04 |
| MDL Number | MFCD00016985 |
| SMILES | CC(=O)C1=CC=C(Br)C(=C1)[N+]([O-])=O |
| Synonym | 1-4-bromo-3-nitrophenyl ethanone,4'-bromo-3'-nitroacetophenone,1-4-bromo-3-nitrophenyl ethan-1-one,4-bromo-3-nitroacetophenone,4-bromo-3'-nitroacetophenone,ethanone, 1-4-bromo-3-nitrophenyl,acmc-209eny,3-nitro-4-bromoacetophenone,4-bromo-3-nitro acetophenone,3'-nitro-4'-bromoacetophenone |
| IUPAC Name | 1-(4-bromo-3-nitrophenyl)ethan-1-one |
| InChI Key | YFVOFFKNHQTQQE-UHFFFAOYSA-N |
| Molecular Formula | C8H6BrNO3 |
2-Chloro-2-phenylacetophenone 98.0+%, TCI America™
CAS: 447-31-4 Molecular Formula: C14H11ClO Molecular Weight (g/mol): 230.69 MDL Number: MFCD00000858 InChI Key: RXDYOLRABMJTEF-UHFFFAOYNA-N Synonym: desyl chloride,2-chloro-2-phenylacetophenone,alpha-chlorodeoxybenzoin,1,2-diphenyl-2-chloroethanone,ethanone, 2-chloro-1,2-diphenyl,alpha-chlorobenzyl phenyl ketone,2-chloro-1,2-diphenylethone,acetophenone, alpha-chloro-alpha-phenyl,2-chloro-1,2-diphenyl-ethanone,acetophenone, 2-chloro-2-phenyl PubChem CID: 95343 IUPAC Name: 2-chloro-1,2-diphenylethan-1-one SMILES: ClC(C(=O)C1=CC=CC=C1)C1=CC=CC=C1
| PubChem CID | 95343 |
|---|---|
| CAS | 447-31-4 |
| Molecular Weight (g/mol) | 230.69 |
| MDL Number | MFCD00000858 |
| SMILES | ClC(C(=O)C1=CC=CC=C1)C1=CC=CC=C1 |
| Synonym | desyl chloride,2-chloro-2-phenylacetophenone,alpha-chlorodeoxybenzoin,1,2-diphenyl-2-chloroethanone,ethanone, 2-chloro-1,2-diphenyl,alpha-chlorobenzyl phenyl ketone,2-chloro-1,2-diphenylethone,acetophenone, alpha-chloro-alpha-phenyl,2-chloro-1,2-diphenyl-ethanone,acetophenone, 2-chloro-2-phenyl |
| IUPAC Name | 2-chloro-1,2-diphenylethan-1-one |
| InChI Key | RXDYOLRABMJTEF-UHFFFAOYNA-N |
| Molecular Formula | C14H11ClO |
2'-Chloro-4'-nitroacetophenone 98.0+%, TCI America™
CAS: 67818-41-1 Molecular Formula: C8H6ClNO3 Molecular Weight (g/mol): 199.59 MDL Number: MFCD00017340 InChI Key: BRFBJVQQCATLSZ-UHFFFAOYSA-N PubChem CID: 314302 IUPAC Name: 1-(2-chloro-4-nitrophenyl)ethan-1-one SMILES: CC(=O)C1=CC=C(C=C1Cl)[N+]([O-])=O
| PubChem CID | 314302 |
|---|---|
| CAS | 67818-41-1 |
| Molecular Weight (g/mol) | 199.59 |
| MDL Number | MFCD00017340 |
| SMILES | CC(=O)C1=CC=C(C=C1Cl)[N+]([O-])=O |
| IUPAC Name | 1-(2-chloro-4-nitrophenyl)ethan-1-one |
| InChI Key | BRFBJVQQCATLSZ-UHFFFAOYSA-N |
| Molecular Formula | C8H6ClNO3 |
L-Kynurenine Hydrate 98.0+%, TCI America™
CAS: 2922-83-0 Molecular Formula: C10H12N2O3 Molecular Weight (g/mol): 208.22 MDL Number: MFCD00069912 InChI Key: YGPSJZOEDVAXAB-QMMMGPOBSA-N Synonym: l-kynurenine,s-2-amino-4-2-aminophenyl-4-oxobutanoic acid,kynurenine, l,3-anthraniloyl-l-alanine,unii-02jw4j5r44,ccris 4425,2s-2-amino-4-2-aminophenyl-4-oxobutanoic acid,quinurenine,kynurenin,s-alpha,2-diamino-gamma-oxobenzenebutanoic acid PubChem CID: 161166 ChEBI: CHEBI:16946 IUPAC Name: (2S)-2-amino-4-(2-aminophenyl)-4-oxobutanoic acid SMILES: N[C@@H](CC(=O)C1=CC=CC=C1N)C(O)=O
| PubChem CID | 161166 |
|---|---|
| CAS | 2922-83-0 |
| Molecular Weight (g/mol) | 208.22 |
| ChEBI | CHEBI:16946 |
| MDL Number | MFCD00069912 |
| SMILES | N[C@@H](CC(=O)C1=CC=CC=C1N)C(O)=O |
| Synonym | l-kynurenine,s-2-amino-4-2-aminophenyl-4-oxobutanoic acid,kynurenine, l,3-anthraniloyl-l-alanine,unii-02jw4j5r44,ccris 4425,2s-2-amino-4-2-aminophenyl-4-oxobutanoic acid,quinurenine,kynurenin,s-alpha,2-diamino-gamma-oxobenzenebutanoic acid |
| IUPAC Name | (2S)-2-amino-4-(2-aminophenyl)-4-oxobutanoic acid |
| InChI Key | YGPSJZOEDVAXAB-QMMMGPOBSA-N |
| Molecular Formula | C10H12N2O3 |
4-(Trimethylsilyl)-3-butyn-2-one 97.0+%, TCI America™
CAS: 5930-98-3 Molecular Formula: C14H15NO2 Molecular Weight (g/mol): 229.28 MDL Number: MFCD00190212 InChI Key: MZPYLXKRBJRNSK-UHFFFAOYNA-N Synonym: 4-trimethylsilyl-3-butyn-2-one,4-trimethylsilyl but-3-yn-2-one,3-butyn-2-one, 4-trimethylsilyl,pubchem16060,ksc490e2j PubChem CID: 2734664 IUPAC Name: 6-methoxy-2,4-dimethyl-2H,3H-furo[3,2-c]quinoline SMILES: COC1=C2N=C(C)C3=C(OC(C)C3)C2=CC=C1
| PubChem CID | 2734664 |
|---|---|
| CAS | 5930-98-3 |
| Molecular Weight (g/mol) | 229.28 |
| MDL Number | MFCD00190212 |
| SMILES | COC1=C2N=C(C)C3=C(OC(C)C3)C2=CC=C1 |
| Synonym | 4-trimethylsilyl-3-butyn-2-one,4-trimethylsilyl but-3-yn-2-one,3-butyn-2-one, 4-trimethylsilyl,pubchem16060,ksc490e2j |
| IUPAC Name | 6-methoxy-2,4-dimethyl-2H,3H-furo[3,2-c]quinoline |
| InChI Key | MZPYLXKRBJRNSK-UHFFFAOYNA-N |
| Molecular Formula | C14H15NO2 |