Organooxygen compounds
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5,7-Dibromo-1-indanone, 97%
CAS: 923977-18-8 Molecular Formula: C9H6Br2O Molecular Weight (g/mol): 289.954 MDL Number: MFCD11707100 InChI Key: WLRPGDOWFWBUAE-UHFFFAOYSA-N Synonym: 5,7-dibromo-1-indanone,5,7-dibromo-2,3-dihydro-1h-inden-1-one,5,7-dibromoindanone,5,7-dibromoindan-1-one,5,7-bis bromanyl-2,3-dihydroinden-1-one PubChem CID: 16038257 IUPAC Name: 5,7-dibromo-2,3-dihydroinden-1-one SMILES: C1CC(=O)C2=C(C=C(C=C21)Br)Br
| PubChem CID | 16038257 |
|---|---|
| CAS | 923977-18-8 |
| Molecular Weight (g/mol) | 289.954 |
| MDL Number | MFCD11707100 |
| SMILES | C1CC(=O)C2=C(C=C(C=C21)Br)Br |
| Synonym | 5,7-dibromo-1-indanone,5,7-dibromo-2,3-dihydro-1h-inden-1-one,5,7-dibromoindanone,5,7-dibromoindan-1-one,5,7-bis bromanyl-2,3-dihydroinden-1-one |
| IUPAC Name | 5,7-dibromo-2,3-dihydroinden-1-one |
| InChI Key | WLRPGDOWFWBUAE-UHFFFAOYSA-N |
| Molecular Formula | C9H6Br2O |
2-Phenylpyrimidine-5-carbaldehyde, 97%, Thermo Scientific™
CAS: 130161-46-5 Molecular Formula: C11H8N2O Molecular Weight (g/mol): 184.198 MDL Number: MFCD03085924 InChI Key: AUTGLFSBJLERMV-UHFFFAOYSA-N Synonym: 2-phenyl-5-pyrimidinecarboxaldehye,2-phenylpyrimidine-5-carboxaldehyde,5-pyrimidinecarboxaldehyde, 2-phenyl,2-phenyl-pyrimidine-5-carbaldehyde,5-pyrimidinecarboxaldehyde,2-phenyl,2-phenyl-5-pyrimidinecarbaldehyde,2-phenyl-5-pyrimidinecarboxaldehyde,acmc-1c230,1-2-phenylpyrimidin-5-yl methanone PubChem CID: 820135 IUPAC Name: 2-phenylpyrimidine-5-carbaldehyde SMILES: C1=CC=C(C=C1)C2=NC=C(C=N2)C=O
| PubChem CID | 820135 |
|---|---|
| CAS | 130161-46-5 |
| Molecular Weight (g/mol) | 184.198 |
| MDL Number | MFCD03085924 |
| SMILES | C1=CC=C(C=C1)C2=NC=C(C=N2)C=O |
| Synonym | 2-phenyl-5-pyrimidinecarboxaldehye,2-phenylpyrimidine-5-carboxaldehyde,5-pyrimidinecarboxaldehyde, 2-phenyl,2-phenyl-pyrimidine-5-carbaldehyde,5-pyrimidinecarboxaldehyde,2-phenyl,2-phenyl-5-pyrimidinecarbaldehyde,2-phenyl-5-pyrimidinecarboxaldehyde,acmc-1c230,1-2-phenylpyrimidin-5-yl methanone |
| IUPAC Name | 2-phenylpyrimidine-5-carbaldehyde |
| InChI Key | AUTGLFSBJLERMV-UHFFFAOYSA-N |
| Molecular Formula | C11H8N2O |
3-Hydroxypropionitrile, 97%
CAS: 109-78-4 Molecular Formula: C3H5NO Molecular Weight (g/mol): 71.079 MDL Number: MFCD00002826 InChI Key: WSGYTJNNHPZFKR-UHFFFAOYSA-N Synonym: 3-hydroxypropionitrile,hydracrylonitrile,2-cyanoethanol,ethylene cyanohydrin,propanenitrile, 3-hydroxy,beta-cyanoethanol,glycol cyanohydrin,methanolacetonitrile,hydroxypropanenitrile,2-hydroxycyanoethane PubChem CID: 8011 IUPAC Name: 3-hydroxypropanenitrile SMILES: C(CO)C#N
| PubChem CID | 8011 |
|---|---|
| CAS | 109-78-4 |
| Molecular Weight (g/mol) | 71.079 |
| MDL Number | MFCD00002826 |
| SMILES | C(CO)C#N |
| Synonym | 3-hydroxypropionitrile,hydracrylonitrile,2-cyanoethanol,ethylene cyanohydrin,propanenitrile, 3-hydroxy,beta-cyanoethanol,glycol cyanohydrin,methanolacetonitrile,hydroxypropanenitrile,2-hydroxycyanoethane |
| IUPAC Name | 3-hydroxypropanenitrile |
| InChI Key | WSGYTJNNHPZFKR-UHFFFAOYSA-N |
| Molecular Formula | C3H5NO |
2-Bromo-1-(4-chloro-3-nitrophenyl)ethan-1-one, Technical Grade, Thermo Scientific™
CAS: 22019-49-4 Molecular Formula: C8H5BrClNO3 Molecular Weight (g/mol): 278.486 InChI Key: FXNQTMRPLLNPQY-UHFFFAOYSA-N PubChem CID: 2778330 IUPAC Name: 2-bromo-1-(4-chloro-3-nitrophenyl)ethanone SMILES: C1=CC(=C(C=C1C(=O)CBr)[N+](=O)[O-])Cl
| PubChem CID | 2778330 |
|---|---|
| CAS | 22019-49-4 |
| Molecular Weight (g/mol) | 278.486 |
| SMILES | C1=CC(=C(C=C1C(=O)CBr)[N+](=O)[O-])Cl |
| IUPAC Name | 2-bromo-1-(4-chloro-3-nitrophenyl)ethanone |
| InChI Key | FXNQTMRPLLNPQY-UHFFFAOYSA-N |
| Molecular Formula | C8H5BrClNO3 |
2,6-Difluoro-3-hydroxybenzaldehyde, 95%
CAS: 152434-88-3 Molecular Formula: C7H4F2O2 Molecular Weight (g/mol): 158.104 MDL Number: MFCD08275284 InChI Key: NHGSYGIEJAONJB-UHFFFAOYSA-N PubChem CID: 594111 IUPAC Name: 2,6-difluoro-3-hydroxybenzaldehyde SMILES: C1=CC(=C(C(=C1O)F)C=O)F
| PubChem CID | 594111 |
|---|---|
| CAS | 152434-88-3 |
| Molecular Weight (g/mol) | 158.104 |
| MDL Number | MFCD08275284 |
| SMILES | C1=CC(=C(C(=C1O)F)C=O)F |
| IUPAC Name | 2,6-difluoro-3-hydroxybenzaldehyde |
| InChI Key | NHGSYGIEJAONJB-UHFFFAOYSA-N |
| Molecular Formula | C7H4F2O2 |
6-(1-Pyrrolidinyl)nicotinaldehyde, Thermo Scientific™
CAS: 261715-39-3 Molecular Formula: C10H12N2O Molecular Weight (g/mol): 176.219 InChI Key: FFFAXGTZBUMKTI-UHFFFAOYSA-N Synonym: 6-1-pyrrolidinyl nicotinaldehyde,6-pyrrolidin-1-yl nicotinaldehyde,6-pyrrolidin-1-yl pyridine-3-carbaldehyde,6-pyrrolidin-1-yl pyridine-3-carboxaldehyde,6-1-pyrrolidinyl pyridine-3-carboxaldehyde,6-pyrrolidin-1-ylnicotinaldehyde,6-pyrrolidinylpyridine-3-carbaldehyde,6-1-pyrrolidino pyridine-3-carboxaldehyde,acmc-1cg5q,6-1-pyrrolidino nicotinaldehyde PubChem CID: 2794775 IUPAC Name: 6-pyrrolidin-1-ylpyridine-3-carbaldehyde SMILES: C1CCN(C1)C2=NC=C(C=C2)C=O
| PubChem CID | 2794775 |
|---|---|
| CAS | 261715-39-3 |
| Molecular Weight (g/mol) | 176.219 |
| SMILES | C1CCN(C1)C2=NC=C(C=C2)C=O |
| Synonym | 6-1-pyrrolidinyl nicotinaldehyde,6-pyrrolidin-1-yl nicotinaldehyde,6-pyrrolidin-1-yl pyridine-3-carbaldehyde,6-pyrrolidin-1-yl pyridine-3-carboxaldehyde,6-1-pyrrolidinyl pyridine-3-carboxaldehyde,6-pyrrolidin-1-ylnicotinaldehyde,6-pyrrolidinylpyridine-3-carbaldehyde,6-1-pyrrolidino pyridine-3-carboxaldehyde,acmc-1cg5q,6-1-pyrrolidino nicotinaldehyde |
| IUPAC Name | 6-pyrrolidin-1-ylpyridine-3-carbaldehyde |
| InChI Key | FFFAXGTZBUMKTI-UHFFFAOYSA-N |
| Molecular Formula | C10H12N2O |
Shikimic Acid, ≥98%, MP Biomedicals™
CAS: 138-59-0 Molecular Formula: C7H9O5- Molecular Weight (g/mol): 173.144 MDL Number: MFCD00066278 InChI Key: JXOHGGNKMLTUBP-HSUXUTPPSA-M Synonym: shikimic acid,shikimate,--shikimic acid,l-shikimic acid,3r,4s,5r-3,4,5-trihydroxycyclohex-1-enecarboxylic acid,3r,4s,5r-3,4,5-trihydroxycyclohex-1-ene-1-carboxylic acid,--shikimate,ccris 7681,unii-29ms2wi2nu,3alpha,4alpha,5beta-trihydroxy-1-cyclohexene-1-carboxylic acid PubChem CID: 7057976 ChEBI: CHEBI:36208 IUPAC Name: (3R,4S,5R)-3,4,5-trihydroxycyclohexene-1-carboxylate SMILES: C1C(C(C(C=C1C(=O)[O-])O)O)O
| PubChem CID | 7057976 |
|---|---|
| CAS | 138-59-0 |
| Molecular Weight (g/mol) | 173.144 |
| ChEBI | CHEBI:36208 |
| MDL Number | MFCD00066278 |
| SMILES | C1C(C(C(C=C1C(=O)[O-])O)O)O |
| Synonym | shikimic acid,shikimate,--shikimic acid,l-shikimic acid,3r,4s,5r-3,4,5-trihydroxycyclohex-1-enecarboxylic acid,3r,4s,5r-3,4,5-trihydroxycyclohex-1-ene-1-carboxylic acid,--shikimate,ccris 7681,unii-29ms2wi2nu,3alpha,4alpha,5beta-trihydroxy-1-cyclohexene-1-carboxylic acid |
| IUPAC Name | (3R,4S,5R)-3,4,5-trihydroxycyclohexene-1-carboxylate |
| InChI Key | JXOHGGNKMLTUBP-HSUXUTPPSA-M |
| Molecular Formula | C7H9O5- |
4'-(Trifluoromethoxy)acetophenone, 98%, Thermo Scientific™
CAS: 85013-98-5 Molecular Formula: C9H7F3O2 Molecular Weight (g/mol): 204.15 MDL Number: MFCD00042404 InChI Key: MOEXTBIPPMLEFX-UHFFFAOYSA-N Synonym: 4'-trifluoromethoxy acetophenone,1-4-trifluoromethoxy phenyl ethanone,4-trifluoromethoxy acetophenone,1-4-trifluoromethoxy phenyl ethan-1-one,4'-trifluoromethoxyacetophenone,1-4-trifluoromethoxy-phenyl-ethanone,ethanone, 1-4-trifluoromethoxy phenyl,4-trifluoromethoxyacetophenone PubChem CID: 522821 IUPAC Name: 1-[4-(trifluoromethoxy)phenyl]ethanone SMILES: CC(=O)C1=CC=C(OC(F)(F)F)C=C1
| PubChem CID | 522821 |
|---|---|
| CAS | 85013-98-5 |
| Molecular Weight (g/mol) | 204.15 |
| MDL Number | MFCD00042404 |
| SMILES | CC(=O)C1=CC=C(OC(F)(F)F)C=C1 |
| Synonym | 4'-trifluoromethoxy acetophenone,1-4-trifluoromethoxy phenyl ethanone,4-trifluoromethoxy acetophenone,1-4-trifluoromethoxy phenyl ethan-1-one,4'-trifluoromethoxyacetophenone,1-4-trifluoromethoxy-phenyl-ethanone,ethanone, 1-4-trifluoromethoxy phenyl,4-trifluoromethoxyacetophenone |
| IUPAC Name | 1-[4-(trifluoromethoxy)phenyl]ethanone |
| InChI Key | MOEXTBIPPMLEFX-UHFFFAOYSA-N |
| Molecular Formula | C9H7F3O2 |
7-Bromo-2,3-dihydrothieno[3,4-b][1,4]dioxine-5-carbaldehyde, 97%, Thermo Scientific™
CAS: 852054-42-3 Molecular Formula: C7H5BrO3S Molecular Weight (g/mol): 249.078 MDL Number: MFCD08690306 InChI Key: YEKBJVHBVICUOZ-UHFFFAOYSA-N Synonym: 7-bromo-2,3-dihydrothieno 3,4-b 1,4 dioxine-5-carbaldehyde,7-bromo-2h,3h-thieno 3,4-b 1,4 dioxine-5-carbaldehyde,7-bromo-2,3-dihydrothieno 3,4-b 1,4 dioxine-5-carboxaldehyde,2,3-dihydro-7-bromothieno 3,4-b 1,4 dioxin-5-carbaldehyde,7-bromo-2,3-dihydrothieno 3,4-b-1,4-dioxin-5-carbaldehyde,7-bromo-2h,3h-thiopheno 3,4-e 1,4-dioxane-5-carbaldehyde,thieno 3,4-b-1,4-dioxin-5-carboxaldehyde,7-bromo-2,3-dihydro PubChem CID: 11391008 IUPAC Name: 5-bromo-2,3-dihydrothieno[3,4-b][1,4]dioxine-7-carbaldehyde SMILES: C1COC2=C(SC(=C2O1)C=O)Br
| PubChem CID | 11391008 |
|---|---|
| CAS | 852054-42-3 |
| Molecular Weight (g/mol) | 249.078 |
| MDL Number | MFCD08690306 |
| SMILES | C1COC2=C(SC(=C2O1)C=O)Br |
| Synonym | 7-bromo-2,3-dihydrothieno 3,4-b 1,4 dioxine-5-carbaldehyde,7-bromo-2h,3h-thieno 3,4-b 1,4 dioxine-5-carbaldehyde,7-bromo-2,3-dihydrothieno 3,4-b 1,4 dioxine-5-carboxaldehyde,2,3-dihydro-7-bromothieno 3,4-b 1,4 dioxin-5-carbaldehyde,7-bromo-2,3-dihydrothieno 3,4-b-1,4-dioxin-5-carbaldehyde,7-bromo-2h,3h-thiopheno 3,4-e 1,4-dioxane-5-carbaldehyde,thieno 3,4-b-1,4-dioxin-5-carboxaldehyde,7-bromo-2,3-dihydro |
| IUPAC Name | 5-bromo-2,3-dihydrothieno[3,4-b][1,4]dioxine-7-carbaldehyde |
| InChI Key | YEKBJVHBVICUOZ-UHFFFAOYSA-N |
| Molecular Formula | C7H5BrO3S |
Ethyl Vanillin, NF, 98-101%, Spectrum™ Chemical
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CAS: 121-32-4 Molecular Formula: C9H10O3 Molecular Weight (g/mol): 166.18 MDL Number: MFCD00006944 InChI Key: CBOQJANXLMLOSS-UHFFFAOYSA-N IUPAC Name: 3-ethoxy-4-hydroxybenzaldehyde SMILES: CCOC1=CC(C=O)=CC=C1O
| CAS | 121-32-4 |
|---|---|
| Molecular Weight (g/mol) | 166.18 |
| MDL Number | MFCD00006944 |
| SMILES | CCOC1=CC(C=O)=CC=C1O |
| IUPAC Name | 3-ethoxy-4-hydroxybenzaldehyde |
| InChI Key | CBOQJANXLMLOSS-UHFFFAOYSA-N |
| Molecular Formula | C9H10O3 |
4-(2'-Pyridylazo)resorcinol, 97+%, ACS reagent
CAS: 1141-59-9 Molecular Formula: C11H9N3O2 Molecular Weight (g/mol): 215.21 InChI Key: VLCAILLZPUINNF-LCYFTJDESA-N Synonym: 4-2-pyridylazo resorcinol,4-2-pyridlyazo resorcinol,4-2-pyridylazo-2-resorcinol,resorcinol, 4-2-pyridylazo,1-2-pyridylazo resorcinol,unii-n68t40h95t,1,3-benzenediol, 4-2-pyridinylazo,4-pyridin-2-yldiazenyl benzene-1,3-diol,4-2-pyridylazo-1,3-benzenediol,1,3-benzenediol, 4-2-2-pyridinyl diazenyl PubChem CID: 5474737 IUPAC Name: (4Z)-3-hydroxy-4-(pyridin-2-ylhydrazinylidene)cyclohexa-2,5-dien-1-one SMILES: C1=CC=NC(=C1)NN=C2C=CC(=O)C=C2O
| PubChem CID | 5474737 |
|---|---|
| CAS | 1141-59-9 |
| Molecular Weight (g/mol) | 215.21 |
| SMILES | C1=CC=NC(=C1)NN=C2C=CC(=O)C=C2O |
| Synonym | 4-2-pyridylazo resorcinol,4-2-pyridlyazo resorcinol,4-2-pyridylazo-2-resorcinol,resorcinol, 4-2-pyridylazo,1-2-pyridylazo resorcinol,unii-n68t40h95t,1,3-benzenediol, 4-2-pyridinylazo,4-pyridin-2-yldiazenyl benzene-1,3-diol,4-2-pyridylazo-1,3-benzenediol,1,3-benzenediol, 4-2-2-pyridinyl diazenyl |
| IUPAC Name | (4Z)-3-hydroxy-4-(pyridin-2-ylhydrazinylidene)cyclohexa-2,5-dien-1-one |
| InChI Key | VLCAILLZPUINNF-LCYFTJDESA-N |
| Molecular Formula | C11H9N3O2 |
Trimethyl orthoacetate, 98+%
CAS: 1445-45-0 Molecular Formula: C5H12O3 Molecular Weight (g/mol): 120.15 MDL Number: MFCD00008477 InChI Key: HDPNBNXLBDFELL-UHFFFAOYSA-N Synonym: trimethyl orthoacetate,ethane, 1,1,1-trimethoxy,orthoacetic acid, trimethyl ester,methyl orthoacetate,orthoacetic acid trimethyl ester,ch3c och3 3,unii-04h7a3fk37,tmoa,trimethoxyethane,trimethyl-acetate PubChem CID: 15050 IUPAC Name: 1,1,1-trimethoxyethane SMILES: CC(OC)(OC)OC
| PubChem CID | 15050 |
|---|---|
| CAS | 1445-45-0 |
| Molecular Weight (g/mol) | 120.15 |
| MDL Number | MFCD00008477 |
| SMILES | CC(OC)(OC)OC |
| Synonym | trimethyl orthoacetate,ethane, 1,1,1-trimethoxy,orthoacetic acid, trimethyl ester,methyl orthoacetate,orthoacetic acid trimethyl ester,ch3c och3 3,unii-04h7a3fk37,tmoa,trimethoxyethane,trimethyl-acetate |
| IUPAC Name | 1,1,1-trimethoxyethane |
| InChI Key | HDPNBNXLBDFELL-UHFFFAOYSA-N |
| Molecular Formula | C5H12O3 |
2-[Bis(methylthio)methylene]malononitrile, 97%, Thermo Scientific Chemicals
CAS: 5147-80-8 Molecular Formula: C6H6N2S2 Molecular Weight (g/mol): 170.248 MDL Number: MFCD00052730 InChI Key: FICQFRCPSFCFBY-UHFFFAOYSA-N Synonym: 2-bis methylthio methylene malononitrile,bis methylthio methylene malononitrile,2-di methylthio methylidene malononitrile,propanedinitrile, bis methylthio methylene,2-bis methylsulfanyl methylidene propanedinitrile,bis methylthio methylene propanedinitrile,3,3-bis methylthio-2-cyanoacrylonitrile,bis methylthio methylidene propanedinitrile PubChem CID: 99229 IUPAC Name: 2-[bis(methylsulfanyl)methylidene]propanedinitrile SMILES: CSC(=C(C#N)C#N)SC
| PubChem CID | 99229 |
|---|---|
| CAS | 5147-80-8 |
| Molecular Weight (g/mol) | 170.248 |
| MDL Number | MFCD00052730 |
| SMILES | CSC(=C(C#N)C#N)SC |
| Synonym | 2-bis methylthio methylene malononitrile,bis methylthio methylene malononitrile,2-di methylthio methylidene malononitrile,propanedinitrile, bis methylthio methylene,2-bis methylsulfanyl methylidene propanedinitrile,bis methylthio methylene propanedinitrile,3,3-bis methylthio-2-cyanoacrylonitrile,bis methylthio methylidene propanedinitrile |
| IUPAC Name | 2-[bis(methylsulfanyl)methylidene]propanedinitrile |
| InChI Key | FICQFRCPSFCFBY-UHFFFAOYSA-N |
| Molecular Formula | C6H6N2S2 |
4-Methylmorpholine N-oxide monohydrate, 98+%
CAS: 70187-32-5 Molecular Formula: C5H13NO3 Molecular Weight (g/mol): 135.163 MDL Number: MFCD00149388 InChI Key: WAZPLXZGZWWXDQ-UHFFFAOYSA-N Synonym: 4-methylmorpholine n-oxide monohydrate,4-methylmorpholine 4-oxide hydrate,4-methylmorpholine n-oxide hydrate,4-methylmorpholine 4-oxide xhydrate,unii-087wu2ftq5,n-methylmorpholine n-oxide monohydrate,n-methylmorpholine n-oxide hydrate,n-methylmorpholine-n-oxide monohydrate,4-methyl-4-oxidomorpholin-4-ium hydrate,morpholine, 4-methyl-, 4-oxide, hydrate PubChem CID: 2724197 IUPAC Name: 4-methyl-4-oxidomorpholin-4-ium;hydrate SMILES: C[N+]1(CCOCC1)[O-].O
| PubChem CID | 2724197 |
|---|---|
| CAS | 70187-32-5 |
| Molecular Weight (g/mol) | 135.163 |
| MDL Number | MFCD00149388 |
| SMILES | C[N+]1(CCOCC1)[O-].O |
| Synonym | 4-methylmorpholine n-oxide monohydrate,4-methylmorpholine 4-oxide hydrate,4-methylmorpholine n-oxide hydrate,4-methylmorpholine 4-oxide xhydrate,unii-087wu2ftq5,n-methylmorpholine n-oxide monohydrate,n-methylmorpholine n-oxide hydrate,n-methylmorpholine-n-oxide monohydrate,4-methyl-4-oxidomorpholin-4-ium hydrate,morpholine, 4-methyl-, 4-oxide, hydrate |
| IUPAC Name | 4-methyl-4-oxidomorpholin-4-ium;hydrate |
| InChI Key | WAZPLXZGZWWXDQ-UHFFFAOYSA-N |
| Molecular Formula | C5H13NO3 |
Benzbromarone, 98%
CAS: 3562-84-3 Molecular Formula: C17H12Br2O3 Molecular Weight (g/mol): 424.08 InChI Key: WHQCHUCQKNIQEC-UHFFFAOYSA-N Synonym: benzbromarone,benzbromaron,desuric,urinorm,normurat,uricovac,minuric,exurate,hipurik,azubromaron PubChem CID: 2333 ChEBI: CHEBI:3023 IUPAC Name: (3,5-dibromo-4-hydroxyphenyl)-(2-ethyl-1-benzofuran-3-yl)methanone SMILES: CCC1=C(C2=CC=CC=C2O1)C(=O)C3=CC(=C(C(=C3)Br)O)Br
| PubChem CID | 2333 |
|---|---|
| CAS | 3562-84-3 |
| Molecular Weight (g/mol) | 424.08 |
| ChEBI | CHEBI:3023 |
| SMILES | CCC1=C(C2=CC=CC=C2O1)C(=O)C3=CC(=C(C(=C3)Br)O)Br |
| Synonym | benzbromarone,benzbromaron,desuric,urinorm,normurat,uricovac,minuric,exurate,hipurik,azubromaron |
| IUPAC Name | (3,5-dibromo-4-hydroxyphenyl)-(2-ethyl-1-benzofuran-3-yl)methanone |
| InChI Key | WHQCHUCQKNIQEC-UHFFFAOYSA-N |
| Molecular Formula | C17H12Br2O3 |