Organooxygen compounds
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Methyl 3-Benzoylpropionate 98.0+%, TCI America™
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CAS: 25333-24-8 Molecular Formula: C11H12O3 Molecular Weight (g/mol): 192.214 MDL Number: MFCD00014906 InChI Key: XVRCVKWYKYJEIG-UHFFFAOYSA-N Synonym: methyl 3-benzoylpropionate,3-benzoylpropionic acid methyl ester,propionic acid, 3-benzoyl-, methyl ester,methyl 4-oxo-4-phenylbutyrate,benzenebutanoic acid, gamma-oxo-, methyl ester,benzenebutanoic acid, .gamma.-oxo-, methyl ester,benzenebutanoic acid, g-oxo-, methyl ester,acmc-209gja,methyl3-benzoylpropionate,methyl-3-benzoylpropionate PubChem CID: 141190 IUPAC Name: methyl 4-oxo-4-phenylbutanoate SMILES: COC(=O)CCC(=O)C1=CC=CC=C1
| PubChem CID | 141190 |
|---|---|
| CAS | 25333-24-8 |
| Molecular Weight (g/mol) | 192.214 |
| MDL Number | MFCD00014906 |
| SMILES | COC(=O)CCC(=O)C1=CC=CC=C1 |
| Synonym | methyl 3-benzoylpropionate,3-benzoylpropionic acid methyl ester,propionic acid, 3-benzoyl-, methyl ester,methyl 4-oxo-4-phenylbutyrate,benzenebutanoic acid, gamma-oxo-, methyl ester,benzenebutanoic acid, .gamma.-oxo-, methyl ester,benzenebutanoic acid, g-oxo-, methyl ester,acmc-209gja,methyl3-benzoylpropionate,methyl-3-benzoylpropionate |
| IUPAC Name | methyl 4-oxo-4-phenylbutanoate |
| InChI Key | XVRCVKWYKYJEIG-UHFFFAOYSA-N |
| Molecular Formula | C11H12O3 |
3,5-Dichlorobenzaldehyde 97.0+%, TCI America™
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CAS: 10203-08-4 Molecular Formula: C7H4Cl2O Molecular Weight (g/mol): 175.008 MDL Number: MFCD00003352 InChI Key: CASRSOJWLARCRX-UHFFFAOYSA-N Synonym: benzaldehyde, 3,5-dichloro,3,5-dichloro-benzaldehyde,unii-m74yu7se79,rarechem aq a2 0002,pubchem3068,3,5-dichlorobezaldehyde,3,5-dichlorobenaldehyde,3?5-dichlorobenzaldehyde,benzaldehyde,5-dichloro,acmc-1bxq6 PubChem CID: 35746 IUPAC Name: 3,5-dichlorobenzaldehyde SMILES: C1=C(C=C(C=C1Cl)Cl)C=O
| PubChem CID | 35746 |
|---|---|
| CAS | 10203-08-4 |
| Molecular Weight (g/mol) | 175.008 |
| MDL Number | MFCD00003352 |
| SMILES | C1=C(C=C(C=C1Cl)Cl)C=O |
| Synonym | benzaldehyde, 3,5-dichloro,3,5-dichloro-benzaldehyde,unii-m74yu7se79,rarechem aq a2 0002,pubchem3068,3,5-dichlorobezaldehyde,3,5-dichlorobenaldehyde,3?5-dichlorobenzaldehyde,benzaldehyde,5-dichloro,acmc-1bxq6 |
| IUPAC Name | 3,5-dichlorobenzaldehyde |
| InChI Key | CASRSOJWLARCRX-UHFFFAOYSA-N |
| Molecular Formula | C7H4Cl2O |
4'-Ethoxyacetophenone 98.0+%, TCI America™
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CAS: 1676-63-7 Molecular Formula: C10H12O2 Molecular Weight (g/mol): 164.20 MDL Number: MFCD00009095 InChI Key: YJFNFQHMQJCPRG-UHFFFAOYSA-N Synonym: 4'-ethoxyacetophenone,1-4-ethoxyphenyl ethanone,p-ethoxyacetophenone,4-ethoxyacetophenone,1-4-ethoxyphenyl ethan-1-one,ethanone, 1-4-ethoxyphenyl,4'-ethoxy acetophenone,acetophenone, p-ethoxy,acetophenone, 4'-ethoxy,4-ethoxyphenylethanone PubChem CID: 72872 IUPAC Name: 1-(4-ethoxyphenyl)ethan-1-one SMILES: CCOC1=CC=C(C=C1)C(C)=O
| PubChem CID | 72872 |
|---|---|
| CAS | 1676-63-7 |
| Molecular Weight (g/mol) | 164.20 |
| MDL Number | MFCD00009095 |
| SMILES | CCOC1=CC=C(C=C1)C(C)=O |
| Synonym | 4'-ethoxyacetophenone,1-4-ethoxyphenyl ethanone,p-ethoxyacetophenone,4-ethoxyacetophenone,1-4-ethoxyphenyl ethan-1-one,ethanone, 1-4-ethoxyphenyl,4'-ethoxy acetophenone,acetophenone, p-ethoxy,acetophenone, 4'-ethoxy,4-ethoxyphenylethanone |
| IUPAC Name | 1-(4-ethoxyphenyl)ethan-1-one |
| InChI Key | YJFNFQHMQJCPRG-UHFFFAOYSA-N |
| Molecular Formula | C10H12O2 |
4'-Hydroxyacetophenone 98.0+%, TCI America™
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CAS: 99-93-4 Molecular Formula: C8H8O2 Molecular Weight (g/mol): 136.15 MDL Number: MFCD00002359 InChI Key: TXFPEBPIARQUIG-UHFFFAOYSA-N Synonym: 4'-hydroxyacetophenone,4-hydroxyacetophenone,1-4-hydroxyphenyl ethanone,4-acetylphenol,p-hydroxyacetophenone,piceol,ethanone, 1-4-hydroxyphenyl,p-acetylphenol,para-hydroxyacetophenone,p-oxyacetophenone PubChem CID: 7469 ChEBI: CHEBI:28032 IUPAC Name: 1-(4-hydroxyphenyl)ethan-1-one SMILES: CC(=O)C1=CC=C(O)C=C1
| PubChem CID | 7469 |
|---|---|
| CAS | 99-93-4 |
| Molecular Weight (g/mol) | 136.15 |
| ChEBI | CHEBI:28032 |
| MDL Number | MFCD00002359 |
| SMILES | CC(=O)C1=CC=C(O)C=C1 |
| Synonym | 4'-hydroxyacetophenone,4-hydroxyacetophenone,1-4-hydroxyphenyl ethanone,4-acetylphenol,p-hydroxyacetophenone,piceol,ethanone, 1-4-hydroxyphenyl,p-acetylphenol,para-hydroxyacetophenone,p-oxyacetophenone |
| IUPAC Name | 1-(4-hydroxyphenyl)ethan-1-one |
| InChI Key | TXFPEBPIARQUIG-UHFFFAOYSA-N |
| Molecular Formula | C8H8O2 |
2-Hydroxy-4-methoxybenzaldehyde 98.0+%, TCI America™
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CAS: 673-22-3 Molecular Formula: C8H8O3 Molecular Weight (g/mol): 152.15 MDL Number: MFCD00003327 InChI Key: WZUODJNEIXSNEU-UHFFFAOYSA-N Synonym: 4-methoxysalicylaldehyde,benzaldehyde, 2-hydroxy-4-methoxy,4-methoxysalicyaldehyde,2-hydroxy-4-methoxy-benzaldehyde,o-hydroxy-p-methoxybenzaldehyde,p-anisaldehyde, 2-hydroxy,salicylaldehyde, 4-methoxy,2-hydroxy-p-anisaldehyde,2-formyl-5-methoxyphenol,unii-2n395p88lw PubChem CID: 69600 IUPAC Name: 2-hydroxy-4-methoxybenzaldehyde SMILES: COC1=CC=C(C=O)C(O)=C1
| PubChem CID | 69600 |
|---|---|
| CAS | 673-22-3 |
| Molecular Weight (g/mol) | 152.15 |
| MDL Number | MFCD00003327 |
| SMILES | COC1=CC=C(C=O)C(O)=C1 |
| Synonym | 4-methoxysalicylaldehyde,benzaldehyde, 2-hydroxy-4-methoxy,4-methoxysalicyaldehyde,2-hydroxy-4-methoxy-benzaldehyde,o-hydroxy-p-methoxybenzaldehyde,p-anisaldehyde, 2-hydroxy,salicylaldehyde, 4-methoxy,2-hydroxy-p-anisaldehyde,2-formyl-5-methoxyphenol,unii-2n395p88lw |
| IUPAC Name | 2-hydroxy-4-methoxybenzaldehyde |
| InChI Key | WZUODJNEIXSNEU-UHFFFAOYSA-N |
| Molecular Formula | C8H8O3 |
2'-Hydroxy-5'-methylpropiophenone 98.0+%, TCI America™
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CAS: 938-45-4 Molecular Formula: C10H12O2 Molecular Weight (g/mol): 164.20 MDL Number: MFCD01098830 InChI Key: CXZJBPYDVCLMFX-UHFFFAOYSA-N Synonym: 2-Propionyl-p-cresol PubChem CID: 70311 IUPAC Name: 1-(2-hydroxy-5-methylphenyl)propan-1-one SMILES: CCC(=O)C1=CC(C)=CC=C1O
| PubChem CID | 70311 |
|---|---|
| CAS | 938-45-4 |
| Molecular Weight (g/mol) | 164.20 |
| MDL Number | MFCD01098830 |
| SMILES | CCC(=O)C1=CC(C)=CC=C1O |
| Synonym | 2-Propionyl-p-cresol |
| IUPAC Name | 1-(2-hydroxy-5-methylphenyl)propan-1-one |
| InChI Key | CXZJBPYDVCLMFX-UHFFFAOYSA-N |
| Molecular Formula | C10H12O2 |
3-Cyclohexyl-1-propanol 99.0+%, TCI America™
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CAS: 1124-63-6 Molecular Formula: C9H18O Molecular Weight (g/mol): 142.242 MDL Number: MFCD00001528 InChI Key: CLYAQFSQLQTVNO-UHFFFAOYSA-N Synonym: cyclohexanepropanol,3-cyclohexyl-1-propanol,3-cyclohexylpropanol,unii-kjb3vo906f,kjb3vo906f,cyclohexylpropyl alcohol,3-hydroxypropylcyclohexane,3-cyclohexylpropyl alcohol,acmc-1c5ti PubChem CID: 70763 IUPAC Name: 3-cyclohexylpropan-1-ol SMILES: C1CCC(CC1)CCCO
| PubChem CID | 70763 |
|---|---|
| CAS | 1124-63-6 |
| Molecular Weight (g/mol) | 142.242 |
| MDL Number | MFCD00001528 |
| SMILES | C1CCC(CC1)CCCO |
| Synonym | cyclohexanepropanol,3-cyclohexyl-1-propanol,3-cyclohexylpropanol,unii-kjb3vo906f,kjb3vo906f,cyclohexylpropyl alcohol,3-hydroxypropylcyclohexane,3-cyclohexylpropyl alcohol,acmc-1c5ti |
| IUPAC Name | 3-cyclohexylpropan-1-ol |
| InChI Key | CLYAQFSQLQTVNO-UHFFFAOYSA-N |
| Molecular Formula | C9H18O |
3-Buten-1-ol 98.0+%, TCI America™
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CAS: 627-27-0 Molecular Formula: C4H8O Molecular Weight (g/mol): 72.107 MDL Number: MFCD00002959 InChI Key: ZSPTYLOMNJNZNG-UHFFFAOYSA-N Synonym: 3-buten-1-ol,allylcarbinol,3-butenyl alcohol,1-buten-4-ol,vinylethyl alcohol,3-butene-1-ol,ch2=chch2ch2oh,homoallyl alcohol,unii-3db2krm1i9,1-hydroxy-3-butene PubChem CID: 69389 IUPAC Name: but-3-en-1-ol SMILES: C=CCCO
| PubChem CID | 69389 |
|---|---|
| CAS | 627-27-0 |
| Molecular Weight (g/mol) | 72.107 |
| MDL Number | MFCD00002959 |
| SMILES | C=CCCO |
| Synonym | 3-buten-1-ol,allylcarbinol,3-butenyl alcohol,1-buten-4-ol,vinylethyl alcohol,3-butene-1-ol,ch2=chch2ch2oh,homoallyl alcohol,unii-3db2krm1i9,1-hydroxy-3-butene |
| IUPAC Name | but-3-en-1-ol |
| InChI Key | ZSPTYLOMNJNZNG-UHFFFAOYSA-N |
| Molecular Formula | C4H8O |
2-Bromo-2'-(trifluoromethyl)acetophenone 98.0+%, TCI America™
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CAS: 54109-16-9 Molecular Formula: C9H6BrF3O Molecular Weight (g/mol): 267.045 MDL Number: MFCD03094304 InChI Key: KWZCBMKXNYOQAK-UHFFFAOYSA-N Synonym: 2-trifluoromethyl phenacyl bromide,2-bromo-1-2-trifluoromethyl phenyl-1-ethanone,2-bromo-2'-trifluoromethyl acetophenone,2-bromo-1-2-trifluoromethyl-phenyl-ethanone,2-bromo-1-2-trifluoromethyl phenyl ethan-1-one,2-bromo-1-2-trifluoromethyl phenyl ethanone,ethanone, 2-bromo-1-2-trifluoromethyl phenyl,2-trifluoromethyphenacyl bromide,2-trifluoromethyl phenacylbromide PubChem CID: 2778430 IUPAC Name: 2-bromo-1-[2-(trifluoromethyl)phenyl]ethanone SMILES: C1=CC=C(C(=C1)C(=O)CBr)C(F)(F)F
| PubChem CID | 2778430 |
|---|---|
| CAS | 54109-16-9 |
| Molecular Weight (g/mol) | 267.045 |
| MDL Number | MFCD03094304 |
| SMILES | C1=CC=C(C(=C1)C(=O)CBr)C(F)(F)F |
| Synonym | 2-trifluoromethyl phenacyl bromide,2-bromo-1-2-trifluoromethyl phenyl-1-ethanone,2-bromo-2'-trifluoromethyl acetophenone,2-bromo-1-2-trifluoromethyl-phenyl-ethanone,2-bromo-1-2-trifluoromethyl phenyl ethan-1-one,2-bromo-1-2-trifluoromethyl phenyl ethanone,ethanone, 2-bromo-1-2-trifluoromethyl phenyl,2-trifluoromethyphenacyl bromide,2-trifluoromethyl phenacylbromide |
| IUPAC Name | 2-bromo-1-[2-(trifluoromethyl)phenyl]ethanone |
| InChI Key | KWZCBMKXNYOQAK-UHFFFAOYSA-N |
| Molecular Formula | C9H6BrF3O |
2',3',4'-Trichloroacetophenone 98.0+%, TCI America™
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CAS: 13608-87-2 Molecular Formula: C8H5Cl3O Molecular Weight (g/mol): 223.477 MDL Number: MFCD00000542 InChI Key: BXJZZJYNVIDEKG-UHFFFAOYSA-N PubChem CID: 26132 IUPAC Name: 1-(2,3,4-trichlorophenyl)ethanone SMILES: CC(=O)C1=C(C(=C(C=C1)Cl)Cl)Cl
| PubChem CID | 26132 |
|---|---|
| CAS | 13608-87-2 |
| Molecular Weight (g/mol) | 223.477 |
| MDL Number | MFCD00000542 |
| SMILES | CC(=O)C1=C(C(=C(C=C1)Cl)Cl)Cl |
| IUPAC Name | 1-(2,3,4-trichlorophenyl)ethanone |
| InChI Key | BXJZZJYNVIDEKG-UHFFFAOYSA-N |
| Molecular Formula | C8H5Cl3O |
4-Cyclohexylcyclohexanol (cis- and trans- mixture) 98.0+%, TCI America™
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CAS: 2433-14-9 Molecular Formula: C12H22O Molecular Weight (g/mol): 182.31 MDL Number: MFCD00060071,MFCD13185038 InChI Key: AFKMHDZOVNDWLO-UHFFFAOYSA-N PubChem CID: 75518 IUPAC Name: [1,1'-bi(cyclohexane)]-4-ol SMILES: OC1CCC(CC1)C1CCCCC1
| PubChem CID | 75518 |
|---|---|
| CAS | 2433-14-9 |
| Molecular Weight (g/mol) | 182.31 |
| MDL Number | MFCD00060071,MFCD13185038 |
| SMILES | OC1CCC(CC1)C1CCCCC1 |
| IUPAC Name | [1,1'-bi(cyclohexane)]-4-ol |
| InChI Key | AFKMHDZOVNDWLO-UHFFFAOYSA-N |
| Molecular Formula | C12H22O |
1-Adamantanol 98.0+%, TCI America™
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CAS: 768-95-6 Molecular Formula: C10H16O Molecular Weight (g/mol): 152.237 MDL Number: MFCD00074729 InChI Key: VLLNJDMHDJRNFK-UHFFFAOYSA-N Synonym: 1-adamantanol,1-hydroxyadamantane,1-adamantol,adamantanol,tricyclo 3.3.1.1 3,7 decan-1-ol,tricyclo 3.3.1.1∼3,7∼ decan-1-ol,1-adamantanol 1-hydroxyadamantane,tricyclo 3.3.1.13,7 decan-1-ol,3r,5s,7s-adamantan-1-ol PubChem CID: 64152 IUPAC Name: adamantan-1-ol SMILES: C1C2CC3CC1CC(C2)(C3)O
| PubChem CID | 64152 |
|---|---|
| CAS | 768-95-6 |
| Molecular Weight (g/mol) | 152.237 |
| MDL Number | MFCD00074729 |
| SMILES | C1C2CC3CC1CC(C2)(C3)O |
| Synonym | 1-adamantanol,1-hydroxyadamantane,1-adamantol,adamantanol,tricyclo 3.3.1.1 3,7 decan-1-ol,tricyclo 3.3.1.1∼3,7∼ decan-1-ol,1-adamantanol 1-hydroxyadamantane,tricyclo 3.3.1.13,7 decan-1-ol,3r,5s,7s-adamantan-1-ol |
| IUPAC Name | adamantan-1-ol |
| InChI Key | VLLNJDMHDJRNFK-UHFFFAOYSA-N |
| Molecular Formula | C10H16O |
3,4-Hexanedione 96.0+%, TCI America™
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CAS: 4437-51-8 Molecular Formula: C6H10O2 Molecular Weight (g/mol): 114.144 MDL Number: MFCD00010237 InChI Key: KVFQMAZOBTXCAZ-UHFFFAOYSA-N Synonym: 3,4-hexanedione,bipropionyl,dipropionyl,diethyl diketone,3,4-hexane dione,unii-4m4npr5vgd,3,4-hexandione,fema no. 3168,ccris 6295,4m4npr5vgd PubChem CID: 62539 IUPAC Name: hexane-3,4-dione SMILES: CCC(=O)C(=O)CC
| PubChem CID | 62539 |
|---|---|
| CAS | 4437-51-8 |
| Molecular Weight (g/mol) | 114.144 |
| MDL Number | MFCD00010237 |
| SMILES | CCC(=O)C(=O)CC |
| Synonym | 3,4-hexanedione,bipropionyl,dipropionyl,diethyl diketone,3,4-hexane dione,unii-4m4npr5vgd,3,4-hexandione,fema no. 3168,ccris 6295,4m4npr5vgd |
| IUPAC Name | hexane-3,4-dione |
| InChI Key | KVFQMAZOBTXCAZ-UHFFFAOYSA-N |
| Molecular Formula | C6H10O2 |
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'-Bromopropiophenone 99.0+%, TCI America™
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CAS: 10342-83-3 Molecular Formula: C9H9BrO Molecular Weight (g/mol): 213.07 MDL Number: MFCD00000106 InChI Key: UOMOSYFPKGQIKI-UHFFFAOYSA-N Synonym: 4'-bromopropiophenone,1-4-bromophenyl propan-1-one,p-bromopropiophenone,4-bromopropiophenone,propiophenone, 4'-bromo,4-bromophenyl ethyl ketone,1-propanone, 1-4-bromophenyl,1-4-bromophenyl-1-propanone,aurora 22532 PubChem CID: 66312 IUPAC Name: 1-(4-bromophenyl)propan-1-one SMILES: CCC(=O)C1=CC=C(Br)C=C1
| PubChem CID | 66312 |
|---|---|
| CAS | 10342-83-3 |
| Molecular Weight (g/mol) | 213.07 |
| MDL Number | MFCD00000106 |
| SMILES | CCC(=O)C1=CC=C(Br)C=C1 |
| Synonym | 4'-bromopropiophenone,1-4-bromophenyl propan-1-one,p-bromopropiophenone,4-bromopropiophenone,propiophenone, 4'-bromo,4-bromophenyl ethyl ketone,1-propanone, 1-4-bromophenyl,1-4-bromophenyl-1-propanone,aurora 22532 |
| IUPAC Name | 1-(4-bromophenyl)propan-1-one |
| InChI Key | UOMOSYFPKGQIKI-UHFFFAOYSA-N |
| Molecular Formula | C9H9BrO |