Benzenoids
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4-Bromo-2-hydroxybenzonitrile 98.0+%, TCI America™
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CAS: 288067-35-6 Molecular Formula: C7H4BrNO Molecular Weight (g/mol): 198.019 MDL Number: MFCD07780675 InChI Key: PAHSHGVACWNGEY-UHFFFAOYSA-N Synonym: 5-Bromo-2-cyanophenol PubChem CID: 12966961 IUPAC Name: 4-bromo-2-hydroxybenzonitrile SMILES: C1=CC(=C(C=C1Br)O)C#N
| PubChem CID | 12966961 |
|---|---|
| CAS | 288067-35-6 |
| Molecular Weight (g/mol) | 198.019 |
| MDL Number | MFCD07780675 |
| SMILES | C1=CC(=C(C=C1Br)O)C#N |
| Synonym | 5-Bromo-2-cyanophenol |
| IUPAC Name | 4-bromo-2-hydroxybenzonitrile |
| InChI Key | PAHSHGVACWNGEY-UHFFFAOYSA-N |
| Molecular Formula | C7H4BrNO |
2-Fluoro-6-iodobenzoic Acid 98.0+%, TCI America™
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CAS: 111771-08-5 Molecular Formula: C7H4FIO2 Molecular Weight (g/mol): 266.01 MDL Number: MFCD00042289 InChI Key: CYCXAPWOBWWNRK-UHFFFAOYSA-N Synonym: 6-fluoro-2-iodobenzoic acid,benzoic acid, 2-fluoro-6-iodo,maybridge3_007452,pubchem1386,acmc-2099an,2-fluoro-6-iodobenzoicacid,2-fluoro-6-iodo benzoic acid,2-fluoro-6-iodo-benzoic acid,rarechem al bo 0280,attercop-chm at126295 PubChem CID: 2733302 IUPAC Name: 2-fluoro-6-iodobenzoic acid SMILES: C1=CC(=C(C(=C1)I)C(=O)O)F
| PubChem CID | 2733302 |
|---|---|
| CAS | 111771-08-5 |
| Molecular Weight (g/mol) | 266.01 |
| MDL Number | MFCD00042289 |
| SMILES | C1=CC(=C(C(=C1)I)C(=O)O)F |
| Synonym | 6-fluoro-2-iodobenzoic acid,benzoic acid, 2-fluoro-6-iodo,maybridge3_007452,pubchem1386,acmc-2099an,2-fluoro-6-iodobenzoicacid,2-fluoro-6-iodo benzoic acid,2-fluoro-6-iodo-benzoic acid,rarechem al bo 0280,attercop-chm at126295 |
| IUPAC Name | 2-fluoro-6-iodobenzoic acid |
| InChI Key | CYCXAPWOBWWNRK-UHFFFAOYSA-N |
| Molecular Formula | C7H4FIO2 |
2-(3-Bromophenyl)-4,6-diphenyl-1,3,5-triazine 97.0+%, TCI America™
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CAS: 864377-31-1 Molecular Formula: C21H14BrN3 Molecular Weight (g/mol): 388.27 MDL Number: MFCD22200060 InChI Key: HNZUKQQNZRMNGS-UHFFFAOYSA-N PubChem CID: 58943302 IUPAC Name: 2-(3-bromophenyl)-4,6-diphenyl-1,3,5-triazine SMILES: BrC1=CC=CC(=C1)C1=NC(=NC(=N1)C1=CC=CC=C1)C1=CC=CC=C1
| PubChem CID | 58943302 |
|---|---|
| CAS | 864377-31-1 |
| Molecular Weight (g/mol) | 388.27 |
| MDL Number | MFCD22200060 |
| SMILES | BrC1=CC=CC(=C1)C1=NC(=NC(=N1)C1=CC=CC=C1)C1=CC=CC=C1 |
| IUPAC Name | 2-(3-bromophenyl)-4,6-diphenyl-1,3,5-triazine |
| InChI Key | HNZUKQQNZRMNGS-UHFFFAOYSA-N |
| Molecular Formula | C21H14BrN3 |
3-(Benzyloxy)-1-propanol 98.0+%, TCI America™
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CAS: 4799-68-2 Molecular Formula: C10H14O2 Molecular Weight (g/mol): 166.22 MDL Number: MFCD00029659 InChI Key: FUCYABRIJPUVAT-UHFFFAOYSA-N Synonym: 3-benzyloxy-1-propanol,3-benzyloxy propan-1-ol,3-benzyloxypropanol,1-propanol, 3-phenylmethoxy,3-benzyloxy-propan-1-ol,1-propanol, 3-benzyloxy,3-benzyloxypropan-1-ol,3-benzyloxy-propane-1-ol,3-benzyl-oxy propan-1-ol PubChem CID: 347971 IUPAC Name: 3-(benzyloxy)propan-1-ol SMILES: OCCCOCC1=CC=CC=C1
| PubChem CID | 347971 |
|---|---|
| CAS | 4799-68-2 |
| Molecular Weight (g/mol) | 166.22 |
| MDL Number | MFCD00029659 |
| SMILES | OCCCOCC1=CC=CC=C1 |
| Synonym | 3-benzyloxy-1-propanol,3-benzyloxy propan-1-ol,3-benzyloxypropanol,1-propanol, 3-phenylmethoxy,3-benzyloxy-propan-1-ol,1-propanol, 3-benzyloxy,3-benzyloxypropan-1-ol,3-benzyloxy-propane-1-ol,3-benzyl-oxy propan-1-ol |
| IUPAC Name | 3-(benzyloxy)propan-1-ol |
| InChI Key | FUCYABRIJPUVAT-UHFFFAOYSA-N |
| Molecular Formula | C10H14O2 |
Butyl 4-Aminobenzoate 99.0+%, TCI America™
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CAS: 94-25-7 Molecular Formula: C11H15NO2 Molecular Weight (g/mol): 193.246 MDL Number: MFCD00017112 InChI Key: IUWVALYLNVXWKX-UHFFFAOYSA-N Synonym: butamben,butesin,butylcaine,butyl aminobenzoate,butesine,butoform,planoform,scuroform,scuroforme,butyl keloform PubChem CID: 2482 ChEBI: CHEBI:3231 IUPAC Name: butyl 4-aminobenzoate SMILES: CCCCOC(=O)C1=CC=C(C=C1)N
| PubChem CID | 2482 |
|---|---|
| CAS | 94-25-7 |
| Molecular Weight (g/mol) | 193.246 |
| ChEBI | CHEBI:3231 |
| MDL Number | MFCD00017112 |
| SMILES | CCCCOC(=O)C1=CC=C(C=C1)N |
| Synonym | butamben,butesin,butylcaine,butyl aminobenzoate,butesine,butoform,planoform,scuroform,scuroforme,butyl keloform |
| IUPAC Name | butyl 4-aminobenzoate |
| InChI Key | IUWVALYLNVXWKX-UHFFFAOYSA-N |
| Molecular Formula | C11H15NO2 |
1-(3-Acetamidophenyl)-5-mercaptotetrazole 98.0+%, TCI America™
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CAS: 14070-48-5 Molecular Formula: C9H9N5OS Molecular Weight (g/mol): 235.27 MDL Number: MFCD00603728 InChI Key: SCWKACOBHZIKDI-UHFFFAOYSA-N PubChem CID: 712430 IUPAC Name: N-[3-(5-sulfanylidene-2,5-dihydro-1H-1,2,3,4-tetrazol-1-yl)phenyl]acetamide SMILES: CC(=O)NC1=CC=CC(=C1)N1NN=NC1=S
| PubChem CID | 712430 |
|---|---|
| CAS | 14070-48-5 |
| Molecular Weight (g/mol) | 235.27 |
| MDL Number | MFCD00603728 |
| SMILES | CC(=O)NC1=CC=CC(=C1)N1NN=NC1=S |
| IUPAC Name | N-[3-(5-sulfanylidene-2,5-dihydro-1H-1,2,3,4-tetrazol-1-yl)phenyl]acetamide |
| InChI Key | SCWKACOBHZIKDI-UHFFFAOYSA-N |
| Molecular Formula | C9H9N5OS |
2-Fluoro-4-nitrobenzoic Acid 98.0+%, TCI America™
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CAS: 403-24-7 Molecular Formula: C7H4FNO4 Molecular Weight (g/mol): 185.11 MDL Number: MFCD00275565 InChI Key: MMWFMFZFCKADEL-UHFFFAOYSA-N Synonym: 2-fluoro-4-nitrobenzoic acid,2-fluoro-4-nitrobenzenecarboxylic acid,2-fluoro-4-nitrobenzoicacid,2-fluoro-4-nitro-benzoic acid,4-carboxy-3-fluoronitrobenzene,benzoic acid, 2-fluoro-4-nitro,pubchem1310,acmc-1cts9,2-fluoro4-nitrobenzoic acid,2-fluor-4-nitro-benzoesaure PubChem CID: 302679 SMILES: C1=CC(=C(C=C1[N+](=O)[O-])F)C(=O)O
| PubChem CID | 302679 |
|---|---|
| CAS | 403-24-7 |
| Molecular Weight (g/mol) | 185.11 |
| MDL Number | MFCD00275565 |
| SMILES | C1=CC(=C(C=C1[N+](=O)[O-])F)C(=O)O |
| Synonym | 2-fluoro-4-nitrobenzoic acid,2-fluoro-4-nitrobenzenecarboxylic acid,2-fluoro-4-nitrobenzoicacid,2-fluoro-4-nitro-benzoic acid,4-carboxy-3-fluoronitrobenzene,benzoic acid, 2-fluoro-4-nitro,pubchem1310,acmc-1cts9,2-fluoro4-nitrobenzoic acid,2-fluor-4-nitro-benzoesaure |
| InChI Key | MMWFMFZFCKADEL-UHFFFAOYSA-N |
| Molecular Formula | C7H4FNO4 |
4-Benzylthiomorpholine 1,1-Dioxide 98.0+%, TCI America™
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CAS: 26475-66-1 Molecular Formula: C11H15NO2S Molecular Weight (g/mol): 225.31 MDL Number: MFCD00084894 InChI Key: KFAMTQFKYUXQKV-UHFFFAOYSA-N PubChem CID: 318454 IUPAC Name: 4-benzyl-1λ⁶-thiomorpholine-1,1-dione SMILES: O=S1(=O)CCN(CC2=CC=CC=C2)CC1
| PubChem CID | 318454 |
|---|---|
| CAS | 26475-66-1 |
| Molecular Weight (g/mol) | 225.31 |
| MDL Number | MFCD00084894 |
| SMILES | O=S1(=O)CCN(CC2=CC=CC=C2)CC1 |
| IUPAC Name | 4-benzyl-1λ⁶-thiomorpholine-1,1-dione |
| InChI Key | KFAMTQFKYUXQKV-UHFFFAOYSA-N |
| Molecular Formula | C11H15NO2S |
2,5-Di-tert-butylhydroquinone 98.0+%, TCI America™
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CAS: 88-58-4 Molecular Formula: C14H22O2 Molecular Weight (g/mol): 222.33 MDL Number: MFCD00008825 InChI Key: JZODKRWQWUWGCD-UHFFFAOYSA-N Synonym: 2,5-di-tert-butylhydroquinone,2,5-di-tert-butylbenzene-1,4-diol,dibug,dtbhq,dybug,santovar o,di-t-butylhydroquinone,2,5-di-tert-butylquinol,nonflex alba,2,5-di-t-butylhydroquinone PubChem CID: 2374 ChEBI: CHEBI:41094 IUPAC Name: 2,5-di-tert-butylbenzene-1,4-diol SMILES: CC(C)(C)C1=CC(O)=C(C=C1O)C(C)(C)C
| PubChem CID | 2374 |
|---|---|
| CAS | 88-58-4 |
| Molecular Weight (g/mol) | 222.33 |
| ChEBI | CHEBI:41094 |
| MDL Number | MFCD00008825 |
| SMILES | CC(C)(C)C1=CC(O)=C(C=C1O)C(C)(C)C |
| Synonym | 2,5-di-tert-butylhydroquinone,2,5-di-tert-butylbenzene-1,4-diol,dibug,dtbhq,dybug,santovar o,di-t-butylhydroquinone,2,5-di-tert-butylquinol,nonflex alba,2,5-di-t-butylhydroquinone |
| IUPAC Name | 2,5-di-tert-butylbenzene-1,4-diol |
| InChI Key | JZODKRWQWUWGCD-UHFFFAOYSA-N |
| Molecular Formula | C14H22O2 |
2,4-Dichlorofluorobenzene 96.0+%, TCI America™
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CAS: 1435-48-9 Molecular Formula: C6H3Cl2F Molecular Weight (g/mol): 164.988 MDL Number: MFCD00000580 InChI Key: BDJZCCWUSOZUQG-UHFFFAOYSA-N Synonym: 1,3-dichloro-4-fluorobenzene,2,4-dichlorofluorobenzene,benzene, 2,4-dichloro-1-fluoro,dcfb,benzene,2,4-dichloro-1-fluoro,2,4-dichloro-1-fluoro-benzene,pubchem2312,acmc-209cqu,2,4-dichlorofluobenzene,1,3-dichlorofluorobenzene PubChem CID: 123112 IUPAC Name: 2,4-dichloro-1-fluorobenzene SMILES: C1=CC(=C(C=C1Cl)Cl)F
| PubChem CID | 123112 |
|---|---|
| CAS | 1435-48-9 |
| Molecular Weight (g/mol) | 164.988 |
| MDL Number | MFCD00000580 |
| SMILES | C1=CC(=C(C=C1Cl)Cl)F |
| Synonym | 1,3-dichloro-4-fluorobenzene,2,4-dichlorofluorobenzene,benzene, 2,4-dichloro-1-fluoro,dcfb,benzene,2,4-dichloro-1-fluoro,2,4-dichloro-1-fluoro-benzene,pubchem2312,acmc-209cqu,2,4-dichlorofluobenzene,1,3-dichlorofluorobenzene |
| IUPAC Name | 2,4-dichloro-1-fluorobenzene |
| InChI Key | BDJZCCWUSOZUQG-UHFFFAOYSA-N |
| Molecular Formula | C6H3Cl2F |
1-Bromo-2,6-difluorobenzene 98.0+%, TCI America™
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CAS: 64248-56-2 Molecular Formula: C6H3BrF2 Molecular Weight (g/mol): 192.991 MDL Number: MFCD00009894 InChI Key: HRZTZLCMURHWFY-UHFFFAOYSA-N Synonym: 1-bromo-2,6-difluorobenzene,2,6-difluorobromobenzene,benzene, 2-bromo-1,3-difluoro,2-bromo-1,3-difluoro-benzene,m-difluorobromobenzene,pubchem3034,acmc-1bc5o,2,6-difluoro-bromobenzene,1-bromo-2,6-diflurobenzene PubChem CID: 123557 IUPAC Name: 2-bromo-1,3-difluorobenzene SMILES: C1=CC(=C(C(=C1)F)Br)F
| PubChem CID | 123557 |
|---|---|
| CAS | 64248-56-2 |
| Molecular Weight (g/mol) | 192.991 |
| MDL Number | MFCD00009894 |
| SMILES | C1=CC(=C(C(=C1)F)Br)F |
| Synonym | 1-bromo-2,6-difluorobenzene,2,6-difluorobromobenzene,benzene, 2-bromo-1,3-difluoro,2-bromo-1,3-difluoro-benzene,m-difluorobromobenzene,pubchem3034,acmc-1bc5o,2,6-difluoro-bromobenzene,1-bromo-2,6-diflurobenzene |
| IUPAC Name | 2-bromo-1,3-difluorobenzene |
| InChI Key | HRZTZLCMURHWFY-UHFFFAOYSA-N |
| Molecular Formula | C6H3BrF2 |
Benzoic Anhydride 97.0+%, TCI America™
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CAS: 93-97-0 Molecular Formula: C14H10O3 Molecular Weight (g/mol): 226.231 MDL Number: MFCD00003073 InChI Key: CHIHQLCVLOXUJW-UHFFFAOYSA-N Synonym: benzoic anhydride,benzoic acid, anhydride,benzoyl anhydride,benzoylbenzoate,benzoic acid anhydride,benzoic acid, 1,1'-anhydride,phenyl anhydride,benzoesaeureanhydrid,unii-9k7x34fov2,phenylcarbonyl benzoate PubChem CID: 7167 ChEBI: CHEBI:38815 IUPAC Name: benzoyl benzoate SMILES: C1=CC=C(C=C1)C(=O)OC(=O)C2=CC=CC=C2
| PubChem CID | 7167 |
|---|---|
| CAS | 93-97-0 |
| Molecular Weight (g/mol) | 226.231 |
| ChEBI | CHEBI:38815 |
| MDL Number | MFCD00003073 |
| SMILES | C1=CC=C(C=C1)C(=O)OC(=O)C2=CC=CC=C2 |
| Synonym | benzoic anhydride,benzoic acid, anhydride,benzoyl anhydride,benzoylbenzoate,benzoic acid anhydride,benzoic acid, 1,1'-anhydride,phenyl anhydride,benzoesaeureanhydrid,unii-9k7x34fov2,phenylcarbonyl benzoate |
| IUPAC Name | benzoyl benzoate |
| InChI Key | CHIHQLCVLOXUJW-UHFFFAOYSA-N |
| Molecular Formula | C14H10O3 |
2,6-Dibromo-p-cresol 98.0+%, TCI America™
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CAS: 2432-14-6 Molecular Formula: C7H6Br2O Molecular Weight (g/mol): 265.932 MDL Number: MFCD00002154 InChI Key: FIGPGTJKHFAYRK-UHFFFAOYSA-N Synonym: 2,6-dibromo-p-cresol,dibromocresol,p-cresol, 2,6-dibromo,3,5-dibromo-4-hydroxytoluene,phenol, 2,6-dibromo-4-methyl,2,6-dibromo-4-methyl-phenol,attercop-chm at113597,dibromopcresol,p-cresol,6-dibromo,2,6-dibromo-p-creso PubChem CID: 17078 IUPAC Name: 2,6-dibromo-4-methylphenol SMILES: CC1=CC(=C(C(=C1)Br)O)Br
| PubChem CID | 17078 |
|---|---|
| CAS | 2432-14-6 |
| Molecular Weight (g/mol) | 265.932 |
| MDL Number | MFCD00002154 |
| SMILES | CC1=CC(=C(C(=C1)Br)O)Br |
| Synonym | 2,6-dibromo-p-cresol,dibromocresol,p-cresol, 2,6-dibromo,3,5-dibromo-4-hydroxytoluene,phenol, 2,6-dibromo-4-methyl,2,6-dibromo-4-methyl-phenol,attercop-chm at113597,dibromopcresol,p-cresol,6-dibromo,2,6-dibromo-p-creso |
| IUPAC Name | 2,6-dibromo-4-methylphenol |
| InChI Key | FIGPGTJKHFAYRK-UHFFFAOYSA-N |
| Molecular Formula | C7H6Br2O |
Guanfacine Hydrochloride 98.0+%, TCI America™
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CAS: 29110-48-3 Molecular Formula: C9H10Cl3N3O Molecular Weight (g/mol): 282.549 MDL Number: MFCD00798230 InChI Key: DGFYECXYGUIODH-UHFFFAOYSA-N Synonym: guanfacine hydrochloride,guanfacine hcl,tenex,estulic,intuniv,n-carbamimidoyl-2-2,6-dichlorophenyl acetamide hydrochloride,guanfacin hydrochloride,connexyn,n-amidino-2-2,6-dichlorophenyl acetamide hydrochloride PubChem CID: 71401 IUPAC Name: N-(diaminomethylidene)-2-(2,6-dichlorophenyl)acetamide;hydrochloride SMILES: C1=CC(=C(C(=C1)Cl)CC(=O)N=C(N)N)Cl.Cl
| PubChem CID | 71401 |
|---|---|
| CAS | 29110-48-3 |
| Molecular Weight (g/mol) | 282.549 |
| MDL Number | MFCD00798230 |
| SMILES | C1=CC(=C(C(=C1)Cl)CC(=O)N=C(N)N)Cl.Cl |
| Synonym | guanfacine hydrochloride,guanfacine hcl,tenex,estulic,intuniv,n-carbamimidoyl-2-2,6-dichlorophenyl acetamide hydrochloride,guanfacin hydrochloride,connexyn,n-amidino-2-2,6-dichlorophenyl acetamide hydrochloride |
| IUPAC Name | N-(diaminomethylidene)-2-(2,6-dichlorophenyl)acetamide;hydrochloride |
| InChI Key | DGFYECXYGUIODH-UHFFFAOYSA-N |
| Molecular Formula | C9H10Cl3N3O |
9-Bromoanthracene 95.0+%, TCI America™
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CAS: 1564-64-3 Molecular Formula: C14H9Br Molecular Weight (g/mol): 257.13 MDL Number: MFCD00001243 InChI Key: ZIRVQSRSPDUEOJ-UHFFFAOYSA-N Synonym: anthracene, 9-bromo,9-bromo anthracene,9-bromo-anthracene,9-anthracenyl bromide,9-bromanthracen,pubchem9183,9-bromoanthrene,acmc-209ddx,9-bromoanthracene,dsstox_cid_29080 PubChem CID: 74062 IUPAC Name: 9-bromoanthracene SMILES: C1=CC=C2C(=C1)C=C3C=CC=CC3=C2Br
| PubChem CID | 74062 |
|---|---|
| CAS | 1564-64-3 |
| Molecular Weight (g/mol) | 257.13 |
| MDL Number | MFCD00001243 |
| SMILES | C1=CC=C2C(=C1)C=C3C=CC=CC3=C2Br |
| Synonym | anthracene, 9-bromo,9-bromo anthracene,9-bromo-anthracene,9-anthracenyl bromide,9-bromanthracen,pubchem9183,9-bromoanthrene,acmc-209ddx,9-bromoanthracene,dsstox_cid_29080 |
| IUPAC Name | 9-bromoanthracene |
| InChI Key | ZIRVQSRSPDUEOJ-UHFFFAOYSA-N |
| Molecular Formula | C14H9Br |