Organooxygen compounds
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2'-Bromo-6'-fluoroacetophenone, 96%
CAS: 928715-37-1 Molecular Formula: C8H6BrFO Molecular Weight (g/mol): 217.037 InChI Key: ZTLLHQUYOLPVAR-UHFFFAOYSA-N Synonym: 1-2-bromo-6-fluorophenyl ethanone,2'-bromo-6'-fluoroacetophenone,1-2-bromo-6-fluorophenyl ethan-1-one,1-2-bromo-6-fluoro-phenyl ethanone,ethanone, 1-2-bromo-6-fluorophenyl PubChem CID: 66570680 IUPAC Name: 1-(2-bromo-6-fluorophenyl)ethanone SMILES: CC(=O)C1=C(C=CC=C1Br)F
| PubChem CID | 66570680 |
|---|---|
| CAS | 928715-37-1 |
| Molecular Weight (g/mol) | 217.037 |
| SMILES | CC(=O)C1=C(C=CC=C1Br)F |
| Synonym | 1-2-bromo-6-fluorophenyl ethanone,2'-bromo-6'-fluoroacetophenone,1-2-bromo-6-fluorophenyl ethan-1-one,1-2-bromo-6-fluoro-phenyl ethanone,ethanone, 1-2-bromo-6-fluorophenyl |
| IUPAC Name | 1-(2-bromo-6-fluorophenyl)ethanone |
| InChI Key | ZTLLHQUYOLPVAR-UHFFFAOYSA-N |
| Molecular Formula | C8H6BrFO |
3,5-Dimethylisoxazole-4-carboxaldehyde, 97%
CAS: 54593-26-9 Molecular Formula: C6H7NO2 Molecular Weight (g/mol): 125.127 MDL Number: MFCD02681977 InChI Key: TVAYXKLCEILMEA-UHFFFAOYSA-N Synonym: 3,5-dimethyl-4-isoxazolecarbaldehyde,3,5-dimethylisoxazole-4-carbaldehyde,3,5-dimethylisoxazole-4-carboxaldehyde,4-isoxazolecarboxaldehyde, 3,5-dimethyl,3,5-dimethyl-4-isoxazolecarboxaldehyde,3,5-dimethyl-4-formalisoxazole,pubchem8682,acmc-1axd1,ksc496e3j,3,5-dimethylisoxazol-4-carbaldehyde PubChem CID: 289576 IUPAC Name: 3,5-dimethyl-1,2-oxazole-4-carbaldehyde SMILES: CC1=C(C(=NO1)C)C=O
| PubChem CID | 289576 |
|---|---|
| CAS | 54593-26-9 |
| Molecular Weight (g/mol) | 125.127 |
| MDL Number | MFCD02681977 |
| SMILES | CC1=C(C(=NO1)C)C=O |
| Synonym | 3,5-dimethyl-4-isoxazolecarbaldehyde,3,5-dimethylisoxazole-4-carbaldehyde,3,5-dimethylisoxazole-4-carboxaldehyde,4-isoxazolecarboxaldehyde, 3,5-dimethyl,3,5-dimethyl-4-isoxazolecarboxaldehyde,3,5-dimethyl-4-formalisoxazole,pubchem8682,acmc-1axd1,ksc496e3j,3,5-dimethylisoxazol-4-carbaldehyde |
| IUPAC Name | 3,5-dimethyl-1,2-oxazole-4-carbaldehyde |
| InChI Key | TVAYXKLCEILMEA-UHFFFAOYSA-N |
| Molecular Formula | C6H7NO2 |
7-Methoxyindole, 97%
CAS: 3189-22-8 Molecular Formula: C9H9NO Molecular Weight (g/mol): 147.177 MDL Number: MFCD00047203 InChI Key: FSOPPXYMWZOKRM-UHFFFAOYSA-N Synonym: 7-methoxyindole,7-methoxy indole,1h-indole, 7-methoxy,indole, 7-methoxy,methoxyindole 7-,unii-9r05qk9rp4,7-methoxy-indole,pubchem7434,acmc-209hpi PubChem CID: 76660 IUPAC Name: 7-methoxy-1H-indole SMILES: COC1=CC=CC2=C1NC=C2
| PubChem CID | 76660 |
|---|---|
| CAS | 3189-22-8 |
| Molecular Weight (g/mol) | 147.177 |
| MDL Number | MFCD00047203 |
| SMILES | COC1=CC=CC2=C1NC=C2 |
| Synonym | 7-methoxyindole,7-methoxy indole,1h-indole, 7-methoxy,indole, 7-methoxy,methoxyindole 7-,unii-9r05qk9rp4,7-methoxy-indole,pubchem7434,acmc-209hpi |
| IUPAC Name | 7-methoxy-1H-indole |
| InChI Key | FSOPPXYMWZOKRM-UHFFFAOYSA-N |
| Molecular Formula | C9H9NO |
Methyl 4-chloroacetoacetate, 97+%
CAS: 32807-28-6 Molecular Formula: C5H7ClO3 Molecular Weight (g/mol): 150.56 MDL Number: MFCD00000938 InChI Key: HFLMYYLFSNEOOT-UHFFFAOYSA-N Synonym: methyl 4-chloroacetoacetate,methyl 4-chloro-3-oxo-butanoate,butanoic acid, 4-chloro-3-oxo-, methyl ester,4-chloroacetoacetic acid methyl ester,methyl 4-chloro-3-oxobutyrate,methyl gamma-chloroacetoacetate,methyl-4-chloroacetoacetate,acetoacetic acid, 4-chloro-, methyl ester,4-chloroacetonacetic acid nethyl ester,pubchem11042 PubChem CID: 36240 IUPAC Name: methyl 4-chloro-3-oxobutanoate SMILES: COC(=O)CC(=O)CCl
| PubChem CID | 36240 |
|---|---|
| CAS | 32807-28-6 |
| Molecular Weight (g/mol) | 150.56 |
| MDL Number | MFCD00000938 |
| SMILES | COC(=O)CC(=O)CCl |
| Synonym | methyl 4-chloroacetoacetate,methyl 4-chloro-3-oxo-butanoate,butanoic acid, 4-chloro-3-oxo-, methyl ester,4-chloroacetoacetic acid methyl ester,methyl 4-chloro-3-oxobutyrate,methyl gamma-chloroacetoacetate,methyl-4-chloroacetoacetate,acetoacetic acid, 4-chloro-, methyl ester,4-chloroacetonacetic acid nethyl ester,pubchem11042 |
| IUPAC Name | methyl 4-chloro-3-oxobutanoate |
| InChI Key | HFLMYYLFSNEOOT-UHFFFAOYSA-N |
| Molecular Formula | C5H7ClO3 |
3,4-Dimethoxybenzaldehyde, 99+%
CAS: 120-14-9 Molecular Formula: C9H10O3 Molecular Weight (g/mol): 166.18 MDL Number: MFCD00003363 InChI Key: WJUFSDZVCOTFON-UHFFFAOYSA-N Synonym: veratraldehyde,veratric aldehyde,methylvanillin,vanillin methyl ether,veratral,veratryl aldehyde,benzaldehyde, 3,4-dimethoxy,veratrum aldehyde,p-veratric aldehyde,4-o-methylvanillin PubChem CID: 8419 ChEBI: CHEBI:17098 IUPAC Name: 3,4-dimethoxybenzaldehyde SMILES: COC1=CC=C(C=O)C=C1OC
| PubChem CID | 8419 |
|---|---|
| CAS | 120-14-9 |
| Molecular Weight (g/mol) | 166.18 |
| ChEBI | CHEBI:17098 |
| MDL Number | MFCD00003363 |
| SMILES | COC1=CC=C(C=O)C=C1OC |
| Synonym | veratraldehyde,veratric aldehyde,methylvanillin,vanillin methyl ether,veratral,veratryl aldehyde,benzaldehyde, 3,4-dimethoxy,veratrum aldehyde,p-veratric aldehyde,4-o-methylvanillin |
| IUPAC Name | 3,4-dimethoxybenzaldehyde |
| InChI Key | WJUFSDZVCOTFON-UHFFFAOYSA-N |
| Molecular Formula | C9H10O3 |
1-Adamantanol, 99%
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 |
1-(2-Thenoyl)-3,3,3-trifluoroacetone, 99% (dry wt.) may cont. up to ca 2% water
CAS: 326-91-0 Molecular Formula: C8H5F3O2S Molecular Weight (g/mol): 222.18 MDL Number: MFCD00005445 InChI Key: TXBBUSUXYMIVOS-UHFFFAOYSA-N Synonym: 2-thenoyltrifluoroacetone,thenoyltrifluoroacetone,1,3-butanedione, 4,4,4-trifluoro-1-2-thienyl,4,4,4-trifluoro-1-thiophen-2-yl butane-1,3-dione,4,4,4-trifluoro-1-2-thienyl-1,3-butanedione,4,4,4-trifluoro-1-2-thienyl butane-1,3-dione,perfluoroacetyl 2-thenoyl methane,alpha-thenoyltrifluoroacetone,1-thenoyl-3,3,3-trifluoroacetone,.alpha.-thenoyltrifluoroacetone PubChem CID: 5601 IUPAC Name: 4,4,4-trifluoro-1-thiophen-2-ylbutane-1,3-dione SMILES: FC(F)(F)C(=O)CC(=O)C1=CC=CS1
| PubChem CID | 5601 |
|---|---|
| CAS | 326-91-0 |
| Molecular Weight (g/mol) | 222.18 |
| MDL Number | MFCD00005445 |
| SMILES | FC(F)(F)C(=O)CC(=O)C1=CC=CS1 |
| Synonym | 2-thenoyltrifluoroacetone,thenoyltrifluoroacetone,1,3-butanedione, 4,4,4-trifluoro-1-2-thienyl,4,4,4-trifluoro-1-thiophen-2-yl butane-1,3-dione,4,4,4-trifluoro-1-2-thienyl-1,3-butanedione,4,4,4-trifluoro-1-2-thienyl butane-1,3-dione,perfluoroacetyl 2-thenoyl methane,alpha-thenoyltrifluoroacetone,1-thenoyl-3,3,3-trifluoroacetone,.alpha.-thenoyltrifluoroacetone |
| IUPAC Name | 4,4,4-trifluoro-1-thiophen-2-ylbutane-1,3-dione |
| InChI Key | TXBBUSUXYMIVOS-UHFFFAOYSA-N |
| Molecular Formula | C8H5F3O2S |
5-Chloro-1-pentanol, 95%
CAS: 5259-98-3 Molecular Formula: C5H11ClO Molecular Weight (g/mol): 122.59 MDL Number: MFCD00039556 InChI Key: DCBJCKDOZLTTDW-UHFFFAOYSA-N Synonym: 5-chloro-1-pentanol,5-chloropentanol,pentamethylene chlorohydrin,1-pentanol, 5-chloro,1-chloro-5-hydroxypentane,unii-55vp4w35eg,1-chloro-5-pentanol,5-chloropentane-1-ol,acmc-1amb4,ksc272o9l PubChem CID: 78915 IUPAC Name: 5-chloropentan-1-ol SMILES: OCCCCCCl
| PubChem CID | 78915 |
|---|---|
| CAS | 5259-98-3 |
| Molecular Weight (g/mol) | 122.59 |
| MDL Number | MFCD00039556 |
| SMILES | OCCCCCCl |
| Synonym | 5-chloro-1-pentanol,5-chloropentanol,pentamethylene chlorohydrin,1-pentanol, 5-chloro,1-chloro-5-hydroxypentane,unii-55vp4w35eg,1-chloro-5-pentanol,5-chloropentane-1-ol,acmc-1amb4,ksc272o9l |
| IUPAC Name | 5-chloropentan-1-ol |
| InChI Key | DCBJCKDOZLTTDW-UHFFFAOYSA-N |
| Molecular Formula | C5H11ClO |
7-Methylindole-3-carboxaldehyde, 98%
CAS: 4771-50-0 Molecular Formula: C10H9NO Molecular Weight (g/mol): 159.19 MDL Number: MFCD00047170 InChI Key: KTUFZHVVJBHGKZ-UHFFFAOYSA-N Synonym: 7-methylindole-3-carboxaldehyde,7-methylindole-3-carboxyaldehyde,3-formyl-7-methylindole,7-methylindole 3-carboxaldehyde,1h-indole-3-carboxaldehyde, 7-methyl,3-carboxaldehyde, 7-methylindole,7-methyl-1h-indole-3-carboxaldehyde,7-methylindole-3-carbaldehyde,pubchem8327,acmc-1ak55 PubChem CID: 260389 IUPAC Name: 7-methyl-1H-indole-3-carbaldehyde SMILES: CC1=C2NC=C(C=O)C2=CC=C1
| PubChem CID | 260389 |
|---|---|
| CAS | 4771-50-0 |
| Molecular Weight (g/mol) | 159.19 |
| MDL Number | MFCD00047170 |
| SMILES | CC1=C2NC=C(C=O)C2=CC=C1 |
| Synonym | 7-methylindole-3-carboxaldehyde,7-methylindole-3-carboxyaldehyde,3-formyl-7-methylindole,7-methylindole 3-carboxaldehyde,1h-indole-3-carboxaldehyde, 7-methyl,3-carboxaldehyde, 7-methylindole,7-methyl-1h-indole-3-carboxaldehyde,7-methylindole-3-carbaldehyde,pubchem8327,acmc-1ak55 |
| IUPAC Name | 7-methyl-1H-indole-3-carbaldehyde |
| InChI Key | KTUFZHVVJBHGKZ-UHFFFAOYSA-N |
| Molecular Formula | C10H9NO |
4-Benzyloxy-2-hydroxybenzaldehyde, 99%
CAS: 52085-14-0 Molecular Formula: C14H12O3 Molecular Weight (g/mol): 228.247 MDL Number: MFCD01075698 InChI Key: AMLKEDBYDOCGEG-UHFFFAOYSA-N Synonym: 4-benzyloxy-2-hydroxybenzaldehyde,benzaldehyde, 2-hydroxy-4-phenylmethoxy,4-benzyloxy-2-hydroxy-benzaldehyde,2-hydroxy-4-phenylmethoxy benzaldehyde,acmc-20amov,4-benzyloxysalicylaldehyde,4-benzyloxy-2-hydoxy-benzaldehyde,4-bezyloxy-2-hydroxy-benzaldehyde,4-benzyloxy-2-hydroxy benzaldehyde PubChem CID: 561235 IUPAC Name: 2-hydroxy-4-phenylmethoxybenzaldehyde SMILES: C1=CC=C(C=C1)COC2=CC(=C(C=C2)C=O)O
| PubChem CID | 561235 |
|---|---|
| CAS | 52085-14-0 |
| Molecular Weight (g/mol) | 228.247 |
| MDL Number | MFCD01075698 |
| SMILES | C1=CC=C(C=C1)COC2=CC(=C(C=C2)C=O)O |
| Synonym | 4-benzyloxy-2-hydroxybenzaldehyde,benzaldehyde, 2-hydroxy-4-phenylmethoxy,4-benzyloxy-2-hydroxy-benzaldehyde,2-hydroxy-4-phenylmethoxy benzaldehyde,acmc-20amov,4-benzyloxysalicylaldehyde,4-benzyloxy-2-hydoxy-benzaldehyde,4-bezyloxy-2-hydroxy-benzaldehyde,4-benzyloxy-2-hydroxy benzaldehyde |
| IUPAC Name | 2-hydroxy-4-phenylmethoxybenzaldehyde |
| InChI Key | AMLKEDBYDOCGEG-UHFFFAOYSA-N |
| Molecular Formula | C14H12O3 |
3-Methyl-1-phenyl-2-butanone, 96%
CAS: 2893-05-2 Molecular Formula: C6H15NO Molecular Weight (g/mol): 117.19 MDL Number: MFCD00040487 InChI Key: VHYUNSUGCNKWSO-UHFFFAOYSA-N Synonym: 3-isopropoxypropylamine,3-isopropoxy-1-propylamine,isopropoxypropylamine,1-propanamine, 3-1-methylethoxy,3-aminopropyl isopropyl ether,3-1-methylethoxy-1-propanamine,3-isopropoxy-n-propylamine,3-isopropoxypropan-1-amine,propylamine, 3-isopropoxy,3-propan-2-yloxy propan-1-amine PubChem CID: 76194 IUPAC Name: 3-propan-2-yloxypropan-1-amine SMILES: CC(C)OCCCN
| PubChem CID | 76194 |
|---|---|
| CAS | 2893-05-2 |
| Molecular Weight (g/mol) | 117.19 |
| MDL Number | MFCD00040487 |
| SMILES | CC(C)OCCCN |
| Synonym | 3-isopropoxypropylamine,3-isopropoxy-1-propylamine,isopropoxypropylamine,1-propanamine, 3-1-methylethoxy,3-aminopropyl isopropyl ether,3-1-methylethoxy-1-propanamine,3-isopropoxy-n-propylamine,3-isopropoxypropan-1-amine,propylamine, 3-isopropoxy,3-propan-2-yloxy propan-1-amine |
| IUPAC Name | 3-propan-2-yloxypropan-1-amine |
| InChI Key | VHYUNSUGCNKWSO-UHFFFAOYSA-N |
| Molecular Formula | C6H15NO |
4'-Hydroxy-3'-methoxyacetophenone, 98%
CAS: 498-02-2 Molecular Formula: C9H10O3 Molecular Weight (g/mol): 166.18 MDL Number: MFCD00008747 InChI Key: DFYRUELUNQRZTB-UHFFFAOYSA-N Synonym: acetovanillone,apocynin,4'-hydroxy-3'-methoxyacetophenone,1-4-hydroxy-3-methoxyphenyl ethanone,acetoguaiacone,acetoguaiacon,apocynine,4-acetyl-2-methoxyphenol,acetovanilone,acetovanyllon PubChem CID: 2214 ChEBI: CHEBI:2781 IUPAC Name: 1-(4-hydroxy-3-methoxyphenyl)ethanone SMILES: COC1=CC(=CC=C1O)C(C)=O
| PubChem CID | 2214 |
|---|---|
| CAS | 498-02-2 |
| Molecular Weight (g/mol) | 166.18 |
| ChEBI | CHEBI:2781 |
| MDL Number | MFCD00008747 |
| SMILES | COC1=CC(=CC=C1O)C(C)=O |
| Synonym | acetovanillone,apocynin,4'-hydroxy-3'-methoxyacetophenone,1-4-hydroxy-3-methoxyphenyl ethanone,acetoguaiacone,acetoguaiacon,apocynine,4-acetyl-2-methoxyphenol,acetovanilone,acetovanyllon |
| IUPAC Name | 1-(4-hydroxy-3-methoxyphenyl)ethanone |
| InChI Key | DFYRUELUNQRZTB-UHFFFAOYSA-N |
| Molecular Formula | C9H10O3 |
2',6'-Difluoroacetophenone, 98%
CAS: 13670-99-0 Molecular Formula: C8H6F2O Molecular Weight (g/mol): 156.13 MDL Number: MFCD00000328 InChI Key: VGIIILXIQLXVLC-UHFFFAOYSA-N Synonym: 2',6'-difluoroacetophenone,1-2,6-difluorophenyl ethanone,2,6-difluoroacetophenone,1-2,6-difluorophenyl ethan-1-one,ethanone, 1-2,6-difluorophenyl,acetophenone, 2',6'-difluoro,1-acetyl-2,6-difluorobenzene,fr cf bv1,pubchem4218,intermediates-zcf02054 PubChem CID: 83643 SMILES: CC(=O)C1=C(F)C=CC=C1F
| PubChem CID | 83643 |
|---|---|
| CAS | 13670-99-0 |
| Molecular Weight (g/mol) | 156.13 |
| MDL Number | MFCD00000328 |
| SMILES | CC(=O)C1=C(F)C=CC=C1F |
| Synonym | 2',6'-difluoroacetophenone,1-2,6-difluorophenyl ethanone,2,6-difluoroacetophenone,1-2,6-difluorophenyl ethan-1-one,ethanone, 1-2,6-difluorophenyl,acetophenone, 2',6'-difluoro,1-acetyl-2,6-difluorobenzene,fr cf bv1,pubchem4218,intermediates-zcf02054 |
| InChI Key | VGIIILXIQLXVLC-UHFFFAOYSA-N |
| Molecular Formula | C8H6F2O |
2,2-Dimethyl-1,3-propanediol, 99%
CAS: 126-30-7 Molecular Formula: C5H12O2 Molecular Weight (g/mol): 104.15 MDL Number: MFCD00004685 InChI Key: SLCVBVWXLSEKPL-UHFFFAOYSA-N Synonym: neopentyl glycol,2,2-dimethyl-1,3-propanediol,dimethylolpropane,neopentylene glycol,neopentanediol,neopentylglycol,1,3-propanediol, 2,2-dimethyl,neol,hydroxypivalyl alcohol,dimethyltrimethylene glycol PubChem CID: 31344 IUPAC Name: 2,2-dimethylpropane-1,3-diol SMILES: CC(C)(CO)CO
| PubChem CID | 31344 |
|---|---|
| CAS | 126-30-7 |
| Molecular Weight (g/mol) | 104.15 |
| MDL Number | MFCD00004685 |
| SMILES | CC(C)(CO)CO |
| Synonym | neopentyl glycol,2,2-dimethyl-1,3-propanediol,dimethylolpropane,neopentylene glycol,neopentanediol,neopentylglycol,1,3-propanediol, 2,2-dimethyl,neol,hydroxypivalyl alcohol,dimethyltrimethylene glycol |
| IUPAC Name | 2,2-dimethylpropane-1,3-diol |
| InChI Key | SLCVBVWXLSEKPL-UHFFFAOYSA-N |
| Molecular Formula | C5H12O2 |
2-Acetyl-5-chlorothiophene, 99%
CAS: 6310-09-4 Molecular Formula: C6H5ClOS Molecular Weight (g/mol): 160.62 MDL Number: MFCD00005444 InChI Key: HTZGPEHWQCRXGZ-UHFFFAOYSA-N Synonym: 2-acetyl-5-chlorothiophene,1-5-chlorothiophen-2-yl ethanone,1-5-chloro-2-thienyl ethanone,5-chloro-2-acetylthiophene,ethanone, 1-5-chloro-2-thienyl,5-chlor-2-acetyl thiophen,ketone, 5-chloro-2-thienyl methyl,1-5-chlorothiophen-2-yl ethan-1-one,5-chloro-2-thienyl methyl ketone,2-chloro-5-acetylthiophene PubChem CID: 80572 IUPAC Name: 1-(5-chlorothiophen-2-yl)ethanone SMILES: CC(=O)C1=CC=C(S1)Cl
| PubChem CID | 80572 |
|---|---|
| CAS | 6310-09-4 |
| Molecular Weight (g/mol) | 160.62 |
| MDL Number | MFCD00005444 |
| SMILES | CC(=O)C1=CC=C(S1)Cl |
| Synonym | 2-acetyl-5-chlorothiophene,1-5-chlorothiophen-2-yl ethanone,1-5-chloro-2-thienyl ethanone,5-chloro-2-acetylthiophene,ethanone, 1-5-chloro-2-thienyl,5-chlor-2-acetyl thiophen,ketone, 5-chloro-2-thienyl methyl,1-5-chlorothiophen-2-yl ethan-1-one,5-chloro-2-thienyl methyl ketone,2-chloro-5-acetylthiophene |
| IUPAC Name | 1-(5-chlorothiophen-2-yl)ethanone |
| InChI Key | HTZGPEHWQCRXGZ-UHFFFAOYSA-N |
| Molecular Formula | C6H5ClOS |