Benzenoids
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4-Bromo-3-chlorobenzoic Acid 98.0+%, TCI America™
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CAS: 25118-59-6 Molecular Formula: C7H4BrClO2 Molecular Weight (g/mol): 235.46 MDL Number: MFCD08276864 InChI Key: PSKJIHDVFDVNBU-UHFFFAOYSA-N Synonym: benzoic acid, 4-bromo-3-chloro,acmc-1cbza,intermediates-zcf02677,ksc201k8d,3-chloro-4-bromobenzoic acid,4-bromo-3-chloro-benzoic acid,3-chloro-4-bromor-benzoic acid,benzoicacid, 4-bromo-3-chloro,4-bromanyl-3-chloranyl-benzoic acid,4-bromo-3-chlorobenzoic acid PubChem CID: 12594302 IUPAC Name: 4-bromo-3-chlorobenzoic acid SMILES: OC(=O)C1=CC(Cl)=C(Br)C=C1
| PubChem CID | 12594302 |
|---|---|
| CAS | 25118-59-6 |
| Molecular Weight (g/mol) | 235.46 |
| MDL Number | MFCD08276864 |
| SMILES | OC(=O)C1=CC(Cl)=C(Br)C=C1 |
| Synonym | benzoic acid, 4-bromo-3-chloro,acmc-1cbza,intermediates-zcf02677,ksc201k8d,3-chloro-4-bromobenzoic acid,4-bromo-3-chloro-benzoic acid,3-chloro-4-bromor-benzoic acid,benzoicacid, 4-bromo-3-chloro,4-bromanyl-3-chloranyl-benzoic acid,4-bromo-3-chlorobenzoic acid |
| IUPAC Name | 4-bromo-3-chlorobenzoic acid |
| InChI Key | PSKJIHDVFDVNBU-UHFFFAOYSA-N |
| Molecular Formula | C7H4BrClO2 |
Phenylhydrazine 98.0+%, TCI America™
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CAS: 100-63-0 Molecular Formula: C6H8N2 Molecular Weight (g/mol): 108.14 MDL Number: MFCD00007573 InChI Key: HKOOXMFOFWEVGF-UHFFFAOYSA-N Synonym: hydrazinobenzene,hydrazine, phenyl,phenylhydrazin,monophenylhydrazine,phenyl hydrazine,1-phenylhydrazine,hydrazine-benzene,fenilidrazina,fenylhydrazine,fenylhydrazine dutch PubChem CID: 7516 ChEBI: CHEBI:27924 IUPAC Name: phenylhydrazine SMILES: NNC1=CC=CC=C1
| PubChem CID | 7516 |
|---|---|
| CAS | 100-63-0 |
| Molecular Weight (g/mol) | 108.14 |
| ChEBI | CHEBI:27924 |
| MDL Number | MFCD00007573 |
| SMILES | NNC1=CC=CC=C1 |
| Synonym | hydrazinobenzene,hydrazine, phenyl,phenylhydrazin,monophenylhydrazine,phenyl hydrazine,1-phenylhydrazine,hydrazine-benzene,fenilidrazina,fenylhydrazine,fenylhydrazine dutch |
| IUPAC Name | phenylhydrazine |
| InChI Key | HKOOXMFOFWEVGF-UHFFFAOYSA-N |
| Molecular Formula | C6H8N2 |
2-Propoxybenzoic Acid 98.0+%, TCI America™
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CAS: 2100-31-4 Molecular Formula: C10H12O3 Molecular Weight (g/mol): 180.203 MDL Number: MFCD01075687 InChI Key: OXOWWPXTTOCKKU-UHFFFAOYSA-N Synonym: 2-n-propoxybenzoic acid,o-propoxybenzoic acid,benzoic acid, 2-propoxy,2-propoxy benzoic acid,salicylic acid propyl ether,akos bbb/270,rarechem al bo 0876,propyloxybenzoic acid,2-propoxybenzoic acid,o-propoxy benzoic acid PubChem CID: 539215 IUPAC Name: 2-propoxybenzoic acid SMILES: CCCOC1=CC=CC=C1C(=O)O
| PubChem CID | 539215 |
|---|---|
| CAS | 2100-31-4 |
| Molecular Weight (g/mol) | 180.203 |
| MDL Number | MFCD01075687 |
| SMILES | CCCOC1=CC=CC=C1C(=O)O |
| Synonym | 2-n-propoxybenzoic acid,o-propoxybenzoic acid,benzoic acid, 2-propoxy,2-propoxy benzoic acid,salicylic acid propyl ether,akos bbb/270,rarechem al bo 0876,propyloxybenzoic acid,2-propoxybenzoic acid,o-propoxy benzoic acid |
| IUPAC Name | 2-propoxybenzoic acid |
| InChI Key | OXOWWPXTTOCKKU-UHFFFAOYSA-N |
| Molecular Formula | C10H12O3 |
trans,trans-4'-(3-Butenyl)-4-(3,4-difluorophenyl)bicyclohexyl 98.0+%, TCI America™
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CAS: 155266-68-5 Molecular Formula: C22H30F2 Molecular Weight (g/mol): 332.48 MDL Number: MFCD11053352 InChI Key: UMULWEQZNFZORL-UHFFFAOYSA-N PubChem CID: 23509154 IUPAC Name: 4-(but-3-en-1-yl)-4'-(3,4-difluorophenyl)-1,1'-bi(cyclohexane) SMILES: FC1=C(F)C=C(C=C1)C1CCC(CC1)C1CCC(CCC=C)CC1
| PubChem CID | 23509154 |
|---|---|
| CAS | 155266-68-5 |
| Molecular Weight (g/mol) | 332.48 |
| MDL Number | MFCD11053352 |
| SMILES | FC1=C(F)C=C(C=C1)C1CCC(CC1)C1CCC(CCC=C)CC1 |
| IUPAC Name | 4-(but-3-en-1-yl)-4'-(3,4-difluorophenyl)-1,1'-bi(cyclohexane) |
| InChI Key | UMULWEQZNFZORL-UHFFFAOYSA-N |
| Molecular Formula | C22H30F2 |
2,2-Diphenylpropionitrile 98.0+%, TCI America™
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CAS: 5558-67-8 Molecular Formula: C15H13N Molecular Weight (g/mol): 207.276 MDL Number: MFCD00001846 InChI Key: DPVHBXFSKLKYIQ-UHFFFAOYSA-N Synonym: 2,2-diphenylpropionitrile,1,1-diphenylethyl cyanide,2,2-diphenylpropiononitrile,2,2-diphenyl propionitrile,.alpha.,.alpha.-diphenylpropionitrile,pubchem12547,acmc-209lnw,2,2-diphenylpropanitrile,2,2-diphenyl-propionitrile,2, 2-diphenyl propionitrile PubChem CID: 79677 IUPAC Name: 2,2-diphenylpropanenitrile SMILES: CC(C#N)(C1=CC=CC=C1)C2=CC=CC=C2
| PubChem CID | 79677 |
|---|---|
| CAS | 5558-67-8 |
| Molecular Weight (g/mol) | 207.276 |
| MDL Number | MFCD00001846 |
| SMILES | CC(C#N)(C1=CC=CC=C1)C2=CC=CC=C2 |
| Synonym | 2,2-diphenylpropionitrile,1,1-diphenylethyl cyanide,2,2-diphenylpropiononitrile,2,2-diphenyl propionitrile,.alpha.,.alpha.-diphenylpropionitrile,pubchem12547,acmc-209lnw,2,2-diphenylpropanitrile,2,2-diphenyl-propionitrile,2, 2-diphenyl propionitrile |
| IUPAC Name | 2,2-diphenylpropanenitrile |
| InChI Key | DPVHBXFSKLKYIQ-UHFFFAOYSA-N |
| Molecular Formula | C15H13N |
2-(Methylthio)benzoic Acid 98.0+%, TCI America™
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CAS: 3724-10-5 Molecular Formula: C8H8O2S Molecular Weight (g/mol): 168.21 MDL Number: MFCD00029934 InChI Key: LWJQGKJCZOGGPJ-UHFFFAOYSA-N Synonym: 2-methylthio benzoic acid,benzoic acid, 2-methylthio,o-methylthio benzoic acid,benzoic acid, o-methylthio,2-methylsulfanyl benzoic acid,2-methylmercaptobenzoic acid,2-carboxyphenyl methyl sulfide,acide methyl-s-2-benzoique,2-methylmercapto benzoic acid,acide methyl-s-2-benzoique french PubChem CID: 19498 IUPAC Name: 2-methylsulfanylbenzoic acid SMILES: CSC1=CC=CC=C1C(=O)O
| PubChem CID | 19498 |
|---|---|
| CAS | 3724-10-5 |
| Molecular Weight (g/mol) | 168.21 |
| MDL Number | MFCD00029934 |
| SMILES | CSC1=CC=CC=C1C(=O)O |
| Synonym | 2-methylthio benzoic acid,benzoic acid, 2-methylthio,o-methylthio benzoic acid,benzoic acid, o-methylthio,2-methylsulfanyl benzoic acid,2-methylmercaptobenzoic acid,2-carboxyphenyl methyl sulfide,acide methyl-s-2-benzoique,2-methylmercapto benzoic acid,acide methyl-s-2-benzoique french |
| IUPAC Name | 2-methylsulfanylbenzoic acid |
| InChI Key | LWJQGKJCZOGGPJ-UHFFFAOYSA-N |
| Molecular Formula | C8H8O2S |
2-Fluorophenylacetone 97.0+%, TCI America™
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CAS: 2836-82-0 Molecular Formula: C9H9FO Molecular Weight (g/mol): 152.168 MDL Number: MFCD00000325 InChI Key: BANVZEUCJHUPOI-UHFFFAOYSA-N Synonym: 2-fluorophenylacetone,1-2-fluorophenyl propan-2-one,1-2-fluorophenyl acetone,2-fluorophenyl acetone,o-fluorophenylacetone,2-propanone, 1-2-fluorophenyl,acmc-20anub,ksc497e4p,1-2-fluorophenyl acetone # PubChem CID: 76086 IUPAC Name: 1-(2-fluorophenyl)propan-2-one SMILES: CC(=O)CC1=CC=CC=C1F
| PubChem CID | 76086 |
|---|---|
| CAS | 2836-82-0 |
| Molecular Weight (g/mol) | 152.168 |
| MDL Number | MFCD00000325 |
| SMILES | CC(=O)CC1=CC=CC=C1F |
| Synonym | 2-fluorophenylacetone,1-2-fluorophenyl propan-2-one,1-2-fluorophenyl acetone,2-fluorophenyl acetone,o-fluorophenylacetone,2-propanone, 1-2-fluorophenyl,acmc-20anub,ksc497e4p,1-2-fluorophenyl acetone # |
| IUPAC Name | 1-(2-fluorophenyl)propan-2-one |
| InChI Key | BANVZEUCJHUPOI-UHFFFAOYSA-N |
| Molecular Formula | C9H9FO |
5-Fluoro-2-methylphenylboronic Acid (contains varying amounts of Anhydride), TCI America™
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| PubChem CID | 2783190 |
|---|---|
| CAS | 163517-62-2 |
| MDL Number | MFCD03095047 |
| Color | White |
| Physical Form | Crystalline Powder |
| TSCA | No |
| IUPAC Name | (5-fluoro-2-methylphenyl)boronic acid |
| InChI Key | QKOJLMKWBRBZNQ-UHFFFAOYSA-N |
| Molecular Formula | C7H8BFO2 |
| Formula Weight | 153.95 |
| Melting Point | 148°C |
4,4″-Dinitro-p-terphenyl 97.0+%, TCI America™
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CAS: 3282-11-9 Molecular Formula: C18H12N2O4 Molecular Weight (g/mol): 320.30 MDL Number: MFCD00051743 InChI Key: MHOAYDHUNGLDTB-UHFFFAOYSA-N Synonym: 4,4-dinitro-p-terphenyl,p-terphenyl, 4,4-dinitro,4,4-dinitro-1,1',4',1 terphenyl,1,4-bis 4-nitrophenyl benzene,p,p-dinitro-p-terphenyl,4,4-dinitro-para-terphenyl,4,4-dinitro-1,1',4',1-terphenyl,4,4-dinitro-1,1':4',1-terphenyl,1-nitro-4-4-4-nitrophenyl phenyl benzene,4,4-dinitro-1,1':4',1-terbenzene PubChem CID: 101423 IUPAC Name: 1,4-bis(4-nitrophenyl)benzene SMILES: C1=CC(=CC=C1C2=CC=C(C=C2)[N+](=O)[O-])C3=CC=C(C=C3)[N+](=O)[O-]
| PubChem CID | 101423 |
|---|---|
| CAS | 3282-11-9 |
| Molecular Weight (g/mol) | 320.30 |
| MDL Number | MFCD00051743 |
| SMILES | C1=CC(=CC=C1C2=CC=C(C=C2)[N+](=O)[O-])C3=CC=C(C=C3)[N+](=O)[O-] |
| Synonym | 4,4-dinitro-p-terphenyl,p-terphenyl, 4,4-dinitro,4,4-dinitro-1,1',4',1 terphenyl,1,4-bis 4-nitrophenyl benzene,p,p-dinitro-p-terphenyl,4,4-dinitro-para-terphenyl,4,4-dinitro-1,1',4',1-terphenyl,4,4-dinitro-1,1':4',1-terphenyl,1-nitro-4-4-4-nitrophenyl phenyl benzene,4,4-dinitro-1,1':4',1-terbenzene |
| IUPAC Name | 1,4-bis(4-nitrophenyl)benzene |
| InChI Key | MHOAYDHUNGLDTB-UHFFFAOYSA-N |
| Molecular Formula | C18H12N2O4 |
3-Ethoxy-4-methoxybenzaldehyde 98.0+%, TCI America™
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CAS: 1131-52-8 Molecular Formula: C10H12O3 Molecular Weight (g/mol): 180.203 MDL Number: MFCD00010128 InChI Key: VAMZHXWLGRQSJS-UHFFFAOYSA-N Synonym: 3-ethoxy-4-methoxy-benzaldehyde,benzaldehyde, 3-ethoxy-4-methoxy,pubchem13135,3-ethoxy-p-anisaldehyde,acmc-1ca82,3-ethoxy-4methoxybenzaldehyde,3ethoxy-4-methoxybenzaldehyde,ksc183c6j,3-ethoxy-4-methoxybenzaldehyd,4-methoxy-3-ethoxybenzaldehyde PubChem CID: 244728 IUPAC Name: 3-ethoxy-4-methoxybenzaldehyde SMILES: CCOC1=C(C=CC(=C1)C=O)OC
| PubChem CID | 244728 |
|---|---|
| CAS | 1131-52-8 |
| Molecular Weight (g/mol) | 180.203 |
| MDL Number | MFCD00010128 |
| SMILES | CCOC1=C(C=CC(=C1)C=O)OC |
| Synonym | 3-ethoxy-4-methoxy-benzaldehyde,benzaldehyde, 3-ethoxy-4-methoxy,pubchem13135,3-ethoxy-p-anisaldehyde,acmc-1ca82,3-ethoxy-4methoxybenzaldehyde,3ethoxy-4-methoxybenzaldehyde,ksc183c6j,3-ethoxy-4-methoxybenzaldehyd,4-methoxy-3-ethoxybenzaldehyde |
| IUPAC Name | 3-ethoxy-4-methoxybenzaldehyde |
| InChI Key | VAMZHXWLGRQSJS-UHFFFAOYSA-N |
| Molecular Formula | C10H12O3 |
4-Methyl-3-nitrobenzonitrile 98.0+%, TCI America™
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CAS: 939-79-7 Molecular Formula: C8H6N2O2 Molecular Weight (g/mol): 162.148 MDL Number: MFCD00031482 InChI Key: KOFBNBCOGKLUOM-UHFFFAOYSA-N Synonym: 3-nitro-4-methylbenzonitrile,3-nitro-p-tolunitrile,4-methyl-3-nitro-benzonitrile,benzonitrile, 4-methyl-3-nitro,4-cyano-2-nitrotoluene,4-methyl-3-nitrobenzenecarbonitrile,5-cyano-2-methylnitrobenzene,2-nitro-p-toluonitrile,pubchem4817,acmc-209gtb PubChem CID: 589333 IUPAC Name: 4-methyl-3-nitrobenzonitrile SMILES: CC1=C(C=C(C=C1)C#N)[N+](=O)[O-]
| PubChem CID | 589333 |
|---|---|
| CAS | 939-79-7 |
| Molecular Weight (g/mol) | 162.148 |
| MDL Number | MFCD00031482 |
| SMILES | CC1=C(C=C(C=C1)C#N)[N+](=O)[O-] |
| Synonym | 3-nitro-4-methylbenzonitrile,3-nitro-p-tolunitrile,4-methyl-3-nitro-benzonitrile,benzonitrile, 4-methyl-3-nitro,4-cyano-2-nitrotoluene,4-methyl-3-nitrobenzenecarbonitrile,5-cyano-2-methylnitrobenzene,2-nitro-p-toluonitrile,pubchem4817,acmc-209gtb |
| IUPAC Name | 4-methyl-3-nitrobenzonitrile |
| InChI Key | KOFBNBCOGKLUOM-UHFFFAOYSA-N |
| Molecular Formula | C8H6N2O2 |
2-(3'-Chlorobiphenyl-3-yl)-4,6-diphenyl-1,3,5-triazine 98.0+%, TCI America™
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CAS: 1443049-83-9 Molecular Formula: C27H18ClN3 Molecular Weight (g/mol): 419.912 InChI Key: MMAIMCOMSPMTKJ-UHFFFAOYSA-N PubChem CID: 90177101 IUPAC Name: 2-[3-(3-chlorophenyl)phenyl]-4,6-diphenyl-1,3,5-triazine SMILES: C1=CC=C(C=C1)C2=NC(=NC(=N2)C3=CC=CC(=C3)C4=CC(=CC=C4)Cl)C5=CC=CC=C5
| PubChem CID | 90177101 |
|---|---|
| CAS | 1443049-83-9 |
| Molecular Weight (g/mol) | 419.912 |
| SMILES | C1=CC=C(C=C1)C2=NC(=NC(=N2)C3=CC=CC(=C3)C4=CC(=CC=C4)Cl)C5=CC=CC=C5 |
| IUPAC Name | 2-[3-(3-chlorophenyl)phenyl]-4,6-diphenyl-1,3,5-triazine |
| InChI Key | MMAIMCOMSPMTKJ-UHFFFAOYSA-N |
| Molecular Formula | C27H18ClN3 |
Methyl 3,5-Dibromobenzoate 98.0+%, TCI America™
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CAS: 51329-15-8 Molecular Formula: C8H6Br2O2 Molecular Weight (g/mol): 293.94 MDL Number: MFCD00082648 InChI Key: GSMAWUZTAIOCPL-UHFFFAOYSA-N Synonym: methyl3,5-dibromobenzoate,3,5-dibromobenzoic acid methyl ester,benzoic acid, 3,5-dibromo-, methyl ester,3,5-dibromomethylbenzoate,1,3-dibromo-5-methoxycarbonyl benzene,pubchem3973,maybridge1_007706,acmc-209kt2,ksc274i7j,rarechem al bf 0770 PubChem CID: 621923 IUPAC Name: methyl 3,5-dibromobenzoate SMILES: COC(=O)C1=CC(Br)=CC(Br)=C1
| PubChem CID | 621923 |
|---|---|
| CAS | 51329-15-8 |
| Molecular Weight (g/mol) | 293.94 |
| MDL Number | MFCD00082648 |
| SMILES | COC(=O)C1=CC(Br)=CC(Br)=C1 |
| Synonym | methyl3,5-dibromobenzoate,3,5-dibromobenzoic acid methyl ester,benzoic acid, 3,5-dibromo-, methyl ester,3,5-dibromomethylbenzoate,1,3-dibromo-5-methoxycarbonyl benzene,pubchem3973,maybridge1_007706,acmc-209kt2,ksc274i7j,rarechem al bf 0770 |
| IUPAC Name | methyl 3,5-dibromobenzoate |
| InChI Key | GSMAWUZTAIOCPL-UHFFFAOYSA-N |
| Molecular Formula | C8H6Br2O2 |
3,5-Diaminobenzoic Acid Dihydrochloride 98.0+%, TCI America™
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CAS: 618-56-4 Molecular Formula: C7H10Cl2N2O2 Molecular Weight (g/mol): 225.069 MDL Number: MFCD00012983 InChI Key: IGPLRBRBTUNCRT-UHFFFAOYSA-N Synonym: 3,5-diaminobenzoic acid dihydrochloride,benzoic acid, 3,5-diamino-dihydrochloride,benzoic acid, 3,5-diamino-, hydrochloride 1:2,acmc-1b2s7,3,5-diaminobenzoicaciddihydrochloride,3,5-diamino benzoic acid dihydrochloride PubChem CID: 15556789 IUPAC Name: 3,5-diaminobenzoic acid;dihydrochloride SMILES: C1=C(C=C(C=C1N)N)C(=O)O.Cl.Cl
| PubChem CID | 15556789 |
|---|---|
| CAS | 618-56-4 |
| Molecular Weight (g/mol) | 225.069 |
| MDL Number | MFCD00012983 |
| SMILES | C1=C(C=C(C=C1N)N)C(=O)O.Cl.Cl |
| Synonym | 3,5-diaminobenzoic acid dihydrochloride,benzoic acid, 3,5-diamino-dihydrochloride,benzoic acid, 3,5-diamino-, hydrochloride 1:2,acmc-1b2s7,3,5-diaminobenzoicaciddihydrochloride,3,5-diamino benzoic acid dihydrochloride |
| IUPAC Name | 3,5-diaminobenzoic acid;dihydrochloride |
| InChI Key | IGPLRBRBTUNCRT-UHFFFAOYSA-N |
| Molecular Formula | C7H10Cl2N2O2 |
2,4,6-Trifluorobenzoic Acid 98.0+%, TCI America™
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CAS: 28314-80-9 Molecular Formula: C7H3F3O2 Molecular Weight (g/mol): 176.094 MDL Number: MFCD00042398 InChI Key: SJZATRRXUILGHH-UHFFFAOYSA-N Synonym: benzoic acid, 2,4,6-trifluoro,2,4,6-trifluorobenzoicacid,the derivatives,2,4,6-trifluorobenzioc acid,pubchem1347,acmc-209h1r,ksc204g9t,2,4,6-trifluoro-benzoic acid,rarechem al bo 0448,benzoicacid, 2,4,6-trifluoro PubChem CID: 520373 IUPAC Name: 2,4,6-trifluorobenzoic acid SMILES: C1=C(C=C(C(=C1F)C(=O)O)F)F
| PubChem CID | 520373 |
|---|---|
| CAS | 28314-80-9 |
| Molecular Weight (g/mol) | 176.094 |
| MDL Number | MFCD00042398 |
| SMILES | C1=C(C=C(C(=C1F)C(=O)O)F)F |
| Synonym | benzoic acid, 2,4,6-trifluoro,2,4,6-trifluorobenzoicacid,the derivatives,2,4,6-trifluorobenzioc acid,pubchem1347,acmc-209h1r,ksc204g9t,2,4,6-trifluoro-benzoic acid,rarechem al bo 0448,benzoicacid, 2,4,6-trifluoro |
| IUPAC Name | 2,4,6-trifluorobenzoic acid |
| InChI Key | SJZATRRXUILGHH-UHFFFAOYSA-N |
| Molecular Formula | C7H3F3O2 |