Benzenoids
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4-Chloro-2-fluorobenzaldehyde 98.0+%, TCI America™
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CAS: 61072-56-8 Molecular Formula: C7H4ClFO Molecular Weight (g/mol): 158.556 MDL Number: MFCD00143282 InChI Key: UVGYSEIWAOOIJR-UHFFFAOYSA-N Synonym: 2-fluoro-4-chlorobenzaldehyde,benzaldehyde, 4-chloro-2-fluoro,4-chloranyl-2-fluoranyl-benzaldehyde,pubchem1435,acmc-1b5ai,ksc494c2f,3-fluoro-4-formylchlorobenzene,4-chloro-2-fluoro-benzaldehyde,4-chloro-2-fluoro-benzoaldehyde,timtec-bb sbb003985 PubChem CID: 2724908 IUPAC Name: 4-chloro-2-fluorobenzaldehyde SMILES: C1=CC(=C(C=C1Cl)F)C=O
| PubChem CID | 2724908 |
|---|---|
| CAS | 61072-56-8 |
| Molecular Weight (g/mol) | 158.556 |
| MDL Number | MFCD00143282 |
| SMILES | C1=CC(=C(C=C1Cl)F)C=O |
| Synonym | 2-fluoro-4-chlorobenzaldehyde,benzaldehyde, 4-chloro-2-fluoro,4-chloranyl-2-fluoranyl-benzaldehyde,pubchem1435,acmc-1b5ai,ksc494c2f,3-fluoro-4-formylchlorobenzene,4-chloro-2-fluoro-benzaldehyde,4-chloro-2-fluoro-benzoaldehyde,timtec-bb sbb003985 |
| IUPAC Name | 4-chloro-2-fluorobenzaldehyde |
| InChI Key | UVGYSEIWAOOIJR-UHFFFAOYSA-N |
| Molecular Formula | C7H4ClFO |
2-Chloro-6-fluorophenylboronic Acid (contains varying amounts of Anhydride), TCI America™
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| PubChem CID | 3549395 |
|---|---|
| CAS | 313545-32-3 |
| MDL Number | MFCD04039892 |
| Color | White-Yellow |
| Physical Form | Crystalline Powder |
| TSCA | No |
| IUPAC Name | (2-chloro-6-fluorophenyl)boronic acid |
| InChI Key | NXSZSZJWZVLHAY-UHFFFAOYSA-N |
| Molecular Formula | C6H5BClFO2 |
| Formula Weight | 174.36 |
| Melting Point | 135°C |
2-Chloro-4-nitrobenzoic Acid 98.0+%, TCI America™
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CAS: 99-60-5 Molecular Formula: C7H4ClNO4 Molecular Weight (g/mol): 201.562 MDL Number: MFCD00007209 InChI Key: QAYNSPOKTRVZRC-UHFFFAOYSA-N Synonym: 2-chloro-4-nitrobenzoic acid,benzoic acid, 2-chloro-4-nitro,kyselina 2-chloro-4-nitrobenzoova,kyselina 2-chloro-4-nitrobenzoova czech,2-chloro-4-nitrobenzoic,2-chloro-4-nitro-benzoic acid,2-chloro-4-nitro benzoic acid,2-chloro-4-nitrobenzoicacid,pubchem20257,acmc-209sde PubChem CID: 7448 SMILES: C1=CC(=C(C=C1[N+](=O)[O-])Cl)C(=O)O
| PubChem CID | 7448 |
|---|---|
| CAS | 99-60-5 |
| Molecular Weight (g/mol) | 201.562 |
| MDL Number | MFCD00007209 |
| SMILES | C1=CC(=C(C=C1[N+](=O)[O-])Cl)C(=O)O |
| Synonym | 2-chloro-4-nitrobenzoic acid,benzoic acid, 2-chloro-4-nitro,kyselina 2-chloro-4-nitrobenzoova,kyselina 2-chloro-4-nitrobenzoova czech,2-chloro-4-nitrobenzoic,2-chloro-4-nitro-benzoic acid,2-chloro-4-nitro benzoic acid,2-chloro-4-nitrobenzoicacid,pubchem20257,acmc-209sde |
| InChI Key | QAYNSPOKTRVZRC-UHFFFAOYSA-N |
| Molecular Formula | C7H4ClNO4 |
3-Chloro-5-fluorobenzyl Cyanide 98.0+%, TCI America™
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CAS: 493038-93-0 Molecular Formula: C8H5ClFN Molecular Weight (g/mol): 169.583 MDL Number: MFCD04038259 InChI Key: GWPLYSLPTCBNDL-UHFFFAOYSA-N Synonym: 3-chloro-5-fluorophenylacetonitrile,2-3-chloro-5-fluorophenyl acetonitrile,3-chloro-5-fluorobenzyl cyanide,3-chloro-5-fluorophenyl acetonitrile,2-3-chloro-5-fluoro-phenyl acetonitrile,pubchem4280,ksc494a3d,3-chloro-5-fluorobenzylcyanide,2-5-chloro-3-fluorophenyl ethanenitrile PubChem CID: 2734836 IUPAC Name: 2-(3-chloro-5-fluorophenyl)acetonitrile SMILES: C1=C(C=C(C=C1F)Cl)CC#N
| PubChem CID | 2734836 |
|---|---|
| CAS | 493038-93-0 |
| Molecular Weight (g/mol) | 169.583 |
| MDL Number | MFCD04038259 |
| SMILES | C1=C(C=C(C=C1F)Cl)CC#N |
| Synonym | 3-chloro-5-fluorophenylacetonitrile,2-3-chloro-5-fluorophenyl acetonitrile,3-chloro-5-fluorobenzyl cyanide,3-chloro-5-fluorophenyl acetonitrile,2-3-chloro-5-fluoro-phenyl acetonitrile,pubchem4280,ksc494a3d,3-chloro-5-fluorobenzylcyanide,2-5-chloro-3-fluorophenyl ethanenitrile |
| IUPAC Name | 2-(3-chloro-5-fluorophenyl)acetonitrile |
| InChI Key | GWPLYSLPTCBNDL-UHFFFAOYSA-N |
| Molecular Formula | C8H5ClFN |
4-Chlorobenzylamine 98.0+%, TCI America™
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CAS: 104-86-9 Molecular Formula: C7H8ClN Molecular Weight (g/mol): 141.598 MDL Number: MFCD00008121 InChI Key: YMVFJGSXZNNUDW-UHFFFAOYSA-N Synonym: 4-chlorobenzylamine,4-chlorophenyl methanamine,p-chlorobenzylamine,benzenemethanamine, 4-chloro,1-4-chlorophenyl methanamine,4-chloro-benzylamine,benzylamine, p-chloro,4-chlorophenyl methylamine,para-chlorobenzylamine,chembl13218 PubChem CID: 66036 IUPAC Name: (4-chlorophenyl)methanamine SMILES: C1=CC(=CC=C1CN)Cl
| PubChem CID | 66036 |
|---|---|
| CAS | 104-86-9 |
| Molecular Weight (g/mol) | 141.598 |
| MDL Number | MFCD00008121 |
| SMILES | C1=CC(=CC=C1CN)Cl |
| Synonym | 4-chlorobenzylamine,4-chlorophenyl methanamine,p-chlorobenzylamine,benzenemethanamine, 4-chloro,1-4-chlorophenyl methanamine,4-chloro-benzylamine,benzylamine, p-chloro,4-chlorophenyl methylamine,para-chlorobenzylamine,chembl13218 |
| IUPAC Name | (4-chlorophenyl)methanamine |
| InChI Key | YMVFJGSXZNNUDW-UHFFFAOYSA-N |
| Molecular Formula | C7H8ClN |
3,4-Dimethylbenzaldehyde 95.0+%, TCI America™
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CAS: 5973-71-7 Molecular Formula: C9H10O Molecular Weight (g/mol): 134.178 MDL Number: MFCD00016612 InChI Key: POQJHLBMLVTHAU-UHFFFAOYSA-N Synonym: benzaldehyde, 3,4-dimethyl,unii-16g1j12arb,4-formyl-o-xylene,o-xylene-4-carboxaldehyde,3,4-dimethyl-benzaldehyde,3 pound not4-dimethylbenzaldehyde,pubchem2535,3,4 dimethyl benzaldehyde,3,4-di-methylbenzaldehyde,3,4-dimethyl benzaldehyde PubChem CID: 22278 IUPAC Name: 3,4-dimethylbenzaldehyde SMILES: CC1=C(C=C(C=C1)C=O)C
| PubChem CID | 22278 |
|---|---|
| CAS | 5973-71-7 |
| Molecular Weight (g/mol) | 134.178 |
| MDL Number | MFCD00016612 |
| SMILES | CC1=C(C=C(C=C1)C=O)C |
| Synonym | benzaldehyde, 3,4-dimethyl,unii-16g1j12arb,4-formyl-o-xylene,o-xylene-4-carboxaldehyde,3,4-dimethyl-benzaldehyde,3 pound not4-dimethylbenzaldehyde,pubchem2535,3,4 dimethyl benzaldehyde,3,4-di-methylbenzaldehyde,3,4-dimethyl benzaldehyde |
| IUPAC Name | 3,4-dimethylbenzaldehyde |
| InChI Key | POQJHLBMLVTHAU-UHFFFAOYSA-N |
| Molecular Formula | C9H10O |
2-Chloro-4-nitrotoluene 99.0+%, TCI America™
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CAS: 121-86-8 Molecular Formula: C7H6ClNO2 Molecular Weight (g/mol): 171.58 MDL Number: MFCD00007210 InChI Key: LLYXJBROWQDVMI-UHFFFAOYSA-N Synonym: 2-chloro-4-nitrotoluene,benzene, 2-chloro-1-methyl-4-nitro,o-chloro-p-nitrotoluol,toluene, 2-chloro-4-nitro,3-chloro-4-methylnitrobenzene,2-chlor-4-nitrotoluen,unii-9t26lnr6t8,2-chloro-4-nitrotoluen czech,2,4-chloronitrotoluene,2-chloro-4-nitro-1-methylbenzene PubChem CID: 8491 IUPAC Name: 2-chloro-1-methyl-4-nitrobenzene SMILES: CC1=C(C=C(C=C1)[N+](=O)[O-])Cl
| PubChem CID | 8491 |
|---|---|
| CAS | 121-86-8 |
| Molecular Weight (g/mol) | 171.58 |
| MDL Number | MFCD00007210 |
| SMILES | CC1=C(C=C(C=C1)[N+](=O)[O-])Cl |
| Synonym | 2-chloro-4-nitrotoluene,benzene, 2-chloro-1-methyl-4-nitro,o-chloro-p-nitrotoluol,toluene, 2-chloro-4-nitro,3-chloro-4-methylnitrobenzene,2-chlor-4-nitrotoluen,unii-9t26lnr6t8,2-chloro-4-nitrotoluen czech,2,4-chloronitrotoluene,2-chloro-4-nitro-1-methylbenzene |
| IUPAC Name | 2-chloro-1-methyl-4-nitrobenzene |
| InChI Key | LLYXJBROWQDVMI-UHFFFAOYSA-N |
| Molecular Formula | C7H6ClNO2 |
5-Sulfosalicylic Acid Dihydrate 98.0+%, TCI America™
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CAS: 5965-83-3 Molecular Formula: C9H14O6S Molecular Weight (g/mol): 250.27 MDL Number: MFCD00007508,MFCD00149540 InChI Key: NFYHZVWMQHQKRU-UHFFFAOYSA-N Synonym: 2-hydroxy-5-sulfobenzoic acid dihydrate,5-sulfosalicylic acid dihydrate,sulfosalicylic acid dihydrate,benzoic acid, 2-hydroxy-5-sulfo-, dihydrate,unii-09ngq462s6,2-hydroxy-5-sulfobenzoic acid, hydrate, hydrate,5-sulfosalicylsyre,5-sulfosalicylsaeure,salicylic acid, 5-sulfo-, dihydrate,acmc-1aymd PubChem CID: 2723734 IUPAC Name: 2-hydroxy-5-sulfobenzoic acid; bis(methane) SMILES: C.C.OC(=O)C1=CC(=CC=C1O)S(O)(=O)=O
| PubChem CID | 2723734 |
|---|---|
| CAS | 5965-83-3 |
| Molecular Weight (g/mol) | 250.27 |
| MDL Number | MFCD00007508,MFCD00149540 |
| SMILES | C.C.OC(=O)C1=CC(=CC=C1O)S(O)(=O)=O |
| Synonym | 2-hydroxy-5-sulfobenzoic acid dihydrate,5-sulfosalicylic acid dihydrate,sulfosalicylic acid dihydrate,benzoic acid, 2-hydroxy-5-sulfo-, dihydrate,unii-09ngq462s6,2-hydroxy-5-sulfobenzoic acid, hydrate, hydrate,5-sulfosalicylsyre,5-sulfosalicylsaeure,salicylic acid, 5-sulfo-, dihydrate,acmc-1aymd |
| IUPAC Name | 2-hydroxy-5-sulfobenzoic acid; bis(methane) |
| InChI Key | NFYHZVWMQHQKRU-UHFFFAOYSA-N |
| Molecular Formula | C9H14O6S |
4-Methoxysalicylic Acid 98.0+%, TCI America™
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CAS: 2237-36-7 Molecular Formula: C8H8O4 Molecular Weight (g/mol): 168.15 MDL Number: MFCD00002450 InChI Key: MRIXVKKOHPQOFK-UHFFFAOYSA-N Synonym: 4-methoxysalicylic acid,2-hydroxy-p-anisic acid,2-hydroxy-4-methoxy-benzoic acid,benzoic acid, 2-hydroxy-4-methoxy,2-hydroxy-4-methoxybenzoes,4-methoxysalicylicacid,pubchem18895,4-methoxy salicylic acid,4-methoxy-salicylic acid,acmc-1cs6b PubChem CID: 75231 IUPAC Name: 2-hydroxy-4-methoxybenzoic acid SMILES: COC1=CC=C(C(O)=O)C(O)=C1
| PubChem CID | 75231 |
|---|---|
| CAS | 2237-36-7 |
| Molecular Weight (g/mol) | 168.15 |
| MDL Number | MFCD00002450 |
| SMILES | COC1=CC=C(C(O)=O)C(O)=C1 |
| Synonym | 4-methoxysalicylic acid,2-hydroxy-p-anisic acid,2-hydroxy-4-methoxy-benzoic acid,benzoic acid, 2-hydroxy-4-methoxy,2-hydroxy-4-methoxybenzoes,4-methoxysalicylicacid,pubchem18895,4-methoxy salicylic acid,4-methoxy-salicylic acid,acmc-1cs6b |
| IUPAC Name | 2-hydroxy-4-methoxybenzoic acid |
| InChI Key | MRIXVKKOHPQOFK-UHFFFAOYSA-N |
| Molecular Formula | C8H8O4 |
2,3,4,5,6-Pentafluorotoluene 98.0+%, TCI America™
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CAS: 771-56-2 Molecular Formula: C7H3F5 Molecular Weight (g/mol): 182.093 MDL Number: MFCD00000298 InChI Key: SXPRVMIZFRCAGC-UHFFFAOYSA-N Synonym: 2,3,4,5,6-pentafluorotoluene,pentafluorotoluene,methyl pentafluorobenzene,pentafluoromethylbenzene,benzene, pentafluoromethyl,methylpentafluorobenzene,benzene, 1,2,3,4,5-pentafluoro-6-methyl,toluene, 2,3,4,5,6-pentafluoro,2,3,4,5,6-pentafluoro-toluene,n-methylpentafluorobenzene PubChem CID: 69869 IUPAC Name: 1,2,3,4,5-pentafluoro-6-methylbenzene SMILES: CC1=C(C(=C(C(=C1F)F)F)F)F
| PubChem CID | 69869 |
|---|---|
| CAS | 771-56-2 |
| Molecular Weight (g/mol) | 182.093 |
| MDL Number | MFCD00000298 |
| SMILES | CC1=C(C(=C(C(=C1F)F)F)F)F |
| Synonym | 2,3,4,5,6-pentafluorotoluene,pentafluorotoluene,methyl pentafluorobenzene,pentafluoromethylbenzene,benzene, pentafluoromethyl,methylpentafluorobenzene,benzene, 1,2,3,4,5-pentafluoro-6-methyl,toluene, 2,3,4,5,6-pentafluoro,2,3,4,5,6-pentafluoro-toluene,n-methylpentafluorobenzene |
| IUPAC Name | 1,2,3,4,5-pentafluoro-6-methylbenzene |
| InChI Key | SXPRVMIZFRCAGC-UHFFFAOYSA-N |
| Molecular Formula | C7H3F5 |
4-Butylresorcinol 98.0+%, TCI America™
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CAS: 18979-61-8 Molecular Formula: C10H14O2 Molecular Weight (g/mol): 166.22 MDL Number: MFCD01684800 InChI Key: CSHZYWUPJWVTMQ-UHFFFAOYSA-N PubChem CID: 205912 ChEBI: CHEBI:81689 IUPAC Name: 4-butylbenzene-1,3-diol SMILES: CCCCC1=CC=C(O)C=C1O
| PubChem CID | 205912 |
|---|---|
| CAS | 18979-61-8 |
| Molecular Weight (g/mol) | 166.22 |
| ChEBI | CHEBI:81689 |
| MDL Number | MFCD01684800 |
| SMILES | CCCCC1=CC=C(O)C=C1O |
| IUPAC Name | 4-butylbenzene-1,3-diol |
| InChI Key | CSHZYWUPJWVTMQ-UHFFFAOYSA-N |
| Molecular Formula | C10H14O2 |
Bis(2,6-dimethylphenyl) Chlorophosphate 93.0+%, TCI America™
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CAS: 81639-99-8 Molecular Formula: C16H18ClO3P Molecular Weight (g/mol): 324.741 MDL Number: MFCD00623313 InChI Key: WXCXJSOCIOHPLT-UHFFFAOYSA-N Synonym: Bis(2,6-dimethylphenyl)phosphoryl Chloride, Chlorophosphoric Acid Bis(2,6-dimethylphenyl) Ester PubChem CID: 9923313 IUPAC Name: 2-[chloro-(2,6-dimethylphenoxy)phosphoryl]oxy-1,3-dimethylbenzene SMILES: CC1=C(C(=CC=C1)C)OP(=O)(OC2=C(C=CC=C2C)C)Cl
| PubChem CID | 9923313 |
|---|---|
| CAS | 81639-99-8 |
| Molecular Weight (g/mol) | 324.741 |
| MDL Number | MFCD00623313 |
| SMILES | CC1=C(C(=CC=C1)C)OP(=O)(OC2=C(C=CC=C2C)C)Cl |
| Synonym | Bis(2,6-dimethylphenyl)phosphoryl Chloride, Chlorophosphoric Acid Bis(2,6-dimethylphenyl) Ester |
| IUPAC Name | 2-[chloro-(2,6-dimethylphenoxy)phosphoryl]oxy-1,3-dimethylbenzene |
| InChI Key | WXCXJSOCIOHPLT-UHFFFAOYSA-N |
| Molecular Formula | C16H18ClO3P |
1,2-Naphthoquinone 95.0+%, TCI America™
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CAS: 524-42-5 Molecular Formula: C10H6O2 Molecular Weight (g/mol): 158.16 MDL Number: MFCD00001698 InChI Key: KETQAJRQOHHATG-UHFFFAOYSA-N Synonym: 1,2-naphthoquinone,1,2-naphthalenedione,o-naphthoquinone,beta-naphthoquinone,1,2-naphthaquinone,1,2-naftochinon,.beta.-naphthoquinone,1,2-naftochinon czech,ccris 1558,1,2-dihydronaphthalene-1,2-dione PubChem CID: 10667 ChEBI: CHEBI:34055 IUPAC Name: 1,2-dihydronaphthalene-1,2-dione SMILES: O=C1C=CC2=CC=CC=C2C1=O
| PubChem CID | 10667 |
|---|---|
| CAS | 524-42-5 |
| Molecular Weight (g/mol) | 158.16 |
| ChEBI | CHEBI:34055 |
| MDL Number | MFCD00001698 |
| SMILES | O=C1C=CC2=CC=CC=C2C1=O |
| Synonym | 1,2-naphthoquinone,1,2-naphthalenedione,o-naphthoquinone,beta-naphthoquinone,1,2-naphthaquinone,1,2-naftochinon,.beta.-naphthoquinone,1,2-naftochinon czech,ccris 1558,1,2-dihydronaphthalene-1,2-dione |
| IUPAC Name | 1,2-dihydronaphthalene-1,2-dione |
| InChI Key | KETQAJRQOHHATG-UHFFFAOYSA-N |
| Molecular Formula | C10H6O2 |
Methyl 2-Chloro-4-fluorobenzoate 98.0+%, TCI America™
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CAS: 85953-29-3 Molecular Formula: C8H6ClFO2 Molecular Weight (g/mol): 188.582 MDL Number: MFCD00173937 InChI Key: YZDLPZNWBRBZMZ-UHFFFAOYSA-N Synonym: 2-chloro-4-fluorobenzoic acid methyl ester,methyl 2-chloro-4-fluorobenzenecarboxylate,benzoic acid, 2-chloro-4-fluoro-, methyl ester,2-chloro-4-fluoro-benzoic acid methyl ester,pubchem18760,rarechem al bf 0289,acmc-209q7x,ksc495c1p,methyl 2-chloro-4-fluorob...,methy 2-chloro-4-fluorobenzoate PubChem CID: 2763551 IUPAC Name: methyl 2-chloro-4-fluorobenzoate SMILES: COC(=O)C1=C(C=C(C=C1)F)Cl
| PubChem CID | 2763551 |
|---|---|
| CAS | 85953-29-3 |
| Molecular Weight (g/mol) | 188.582 |
| MDL Number | MFCD00173937 |
| SMILES | COC(=O)C1=C(C=C(C=C1)F)Cl |
| Synonym | 2-chloro-4-fluorobenzoic acid methyl ester,methyl 2-chloro-4-fluorobenzenecarboxylate,benzoic acid, 2-chloro-4-fluoro-, methyl ester,2-chloro-4-fluoro-benzoic acid methyl ester,pubchem18760,rarechem al bf 0289,acmc-209q7x,ksc495c1p,methyl 2-chloro-4-fluorob...,methy 2-chloro-4-fluorobenzoate |
| IUPAC Name | methyl 2-chloro-4-fluorobenzoate |
| InChI Key | YZDLPZNWBRBZMZ-UHFFFAOYSA-N |
| Molecular Formula | C8H6ClFO2 |
7-Methylbenz[a]anthracene 97.0+%, TCI America™
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CAS: 2541-69-7 Molecular Formula: C19H14 Molecular Weight (g/mol): 242.321 MDL Number: MFCD00059500 InChI Key: DIIFUCUPDHMNIV-UHFFFAOYSA-N PubChem CID: 17347 IUPAC Name: 7-methylbenzo[a]anthracene SMILES: CC1=C2C=CC3=CC=CC=C3C2=CC4=CC=CC=C14
| PubChem CID | 17347 |
|---|---|
| CAS | 2541-69-7 |
| Molecular Weight (g/mol) | 242.321 |
| MDL Number | MFCD00059500 |
| SMILES | CC1=C2C=CC3=CC=CC=C3C2=CC4=CC=CC=C14 |
| IUPAC Name | 7-methylbenzo[a]anthracene |
| InChI Key | DIIFUCUPDHMNIV-UHFFFAOYSA-N |
| Molecular Formula | C19H14 |