Benzenoids
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4-Iodobenzoic Acid 98.0+%, TCI America™
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CAS: 619-58-9 Molecular Formula: C7H5IO2 Molecular Weight (g/mol): 248.02 MDL Number: MFCD00002533 InChI Key: GHICCUXQJBDNRN-UHFFFAOYSA-N Synonym: p-iodobenzoic acid,benzoic acid, 4-iodo,benzoic acid, p-iodo,4-iodo-benzoic acid,p-iodobenzenecarboxylic acid,4-jodbenzoesaeure,unii-ipo4lyq1en,4-jodbenzoesaeure german,4-iodo benzoic acid,ipo4lyq1en PubChem CID: 12085 IUPAC Name: 4-iodobenzoic acid SMILES: OC(=O)C1=CC=C(I)C=C1
| PubChem CID | 12085 |
|---|---|
| CAS | 619-58-9 |
| Molecular Weight (g/mol) | 248.02 |
| MDL Number | MFCD00002533 |
| SMILES | OC(=O)C1=CC=C(I)C=C1 |
| Synonym | p-iodobenzoic acid,benzoic acid, 4-iodo,benzoic acid, p-iodo,4-iodo-benzoic acid,p-iodobenzenecarboxylic acid,4-jodbenzoesaeure,unii-ipo4lyq1en,4-jodbenzoesaeure german,4-iodo benzoic acid,ipo4lyq1en |
| IUPAC Name | 4-iodobenzoic acid |
| InChI Key | GHICCUXQJBDNRN-UHFFFAOYSA-N |
| Molecular Formula | C7H5IO2 |
2-Bromo-6-methylbenzoic Acid 98.0+%, TCI America™
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CAS: 90259-31-7 Molecular Formula: C8H7BrO2 Molecular Weight (g/mol): 215.05 MDL Number: MFCD01310788 InChI Key: ICXBPDJQFPIBSS-UHFFFAOYSA-N Synonym: 6-bromo-o-toluic acid,2-bromo-6-methyl-benzoic acid,6-bromo-2-methylbenzoic acid,benzoic acid, 2-bromo-6-methyl,bromtoluylsaure,bromotoluic acid,pubchem4715,acmc-209r5e,ksc494k9r,3-bromo-2-carboxytoluene PubChem CID: 2735589 IUPAC Name: 2-bromo-6-methylbenzoic acid SMILES: CC1=C(C(O)=O)C(Br)=CC=C1
| PubChem CID | 2735589 |
|---|---|
| CAS | 90259-31-7 |
| Molecular Weight (g/mol) | 215.05 |
| MDL Number | MFCD01310788 |
| SMILES | CC1=C(C(O)=O)C(Br)=CC=C1 |
| Synonym | 6-bromo-o-toluic acid,2-bromo-6-methyl-benzoic acid,6-bromo-2-methylbenzoic acid,benzoic acid, 2-bromo-6-methyl,bromtoluylsaure,bromotoluic acid,pubchem4715,acmc-209r5e,ksc494k9r,3-bromo-2-carboxytoluene |
| IUPAC Name | 2-bromo-6-methylbenzoic acid |
| InChI Key | ICXBPDJQFPIBSS-UHFFFAOYSA-N |
| Molecular Formula | C8H7BrO2 |
2,3,4-Trihydroxybenzoic Acid Hydrate 98.0+%, TCI America™
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CAS: 610-02-6 Molecular Formula: C7H6O5 Molecular Weight (g/mol): 170.12 MDL Number: MFCD00002447 InChI Key: BRRSNXCXLSVPFC-UHFFFAOYSA-N Synonym: 4-pyrogallolcarboxylic acid,pyrogallolcarboxylic acid,2,3,4-trihydroxybenzoate,unii-ad1id2jf5o,benzoic acid, trihydroxy,benzoic acid, 2,3,4-trihydroxy,pyrogallol-4-carboxylic acid,2,3,4-trihydroxybenzene carboxylic acid,ad1id2jf5o,pyrogallolcarboxylate PubChem CID: 11874 IUPAC Name: 2,3,4-trihydroxybenzoic acid SMILES: OC(=O)C1=CC=C(O)C(O)=C1O
| PubChem CID | 11874 |
|---|---|
| CAS | 610-02-6 |
| Molecular Weight (g/mol) | 170.12 |
| MDL Number | MFCD00002447 |
| SMILES | OC(=O)C1=CC=C(O)C(O)=C1O |
| Synonym | 4-pyrogallolcarboxylic acid,pyrogallolcarboxylic acid,2,3,4-trihydroxybenzoate,unii-ad1id2jf5o,benzoic acid, trihydroxy,benzoic acid, 2,3,4-trihydroxy,pyrogallol-4-carboxylic acid,2,3,4-trihydroxybenzene carboxylic acid,ad1id2jf5o,pyrogallolcarboxylate |
| IUPAC Name | 2,3,4-trihydroxybenzoic acid |
| InChI Key | BRRSNXCXLSVPFC-UHFFFAOYSA-N |
| Molecular Formula | C7H6O5 |
Methyl 2-Bromo-3-methylbenzoate 98.0+%, TCI America™
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CAS: 131001-86-0 Molecular Formula: C9H9BrO2 Molecular Weight (g/mol): 229.07 MDL Number: MFCD00144762 InChI Key: QAOFGUXVDAZKBW-UHFFFAOYSA-N Synonym: 2-bromo-3-methyl-benzoic acid methyl ester,methyl2-bromo-3-methylbenzoate,benzoic acid, 2-bromo-3-methyl-, methyl ester,2-bromo-3-methylbenzoic acid methyl ester,methyl 2-bromo-3-methyl-benzoate,pubchem3966,acmc-1c3gk,methyl 2-bromo-m-toluate,intermediates-zcf02010,ksc495c9h PubChem CID: 10823279 IUPAC Name: methyl 2-bromo-3-methylbenzoate SMILES: COC(=O)C1=C(Br)C(C)=CC=C1
| PubChem CID | 10823279 |
|---|---|
| CAS | 131001-86-0 |
| Molecular Weight (g/mol) | 229.07 |
| MDL Number | MFCD00144762 |
| SMILES | COC(=O)C1=C(Br)C(C)=CC=C1 |
| Synonym | 2-bromo-3-methyl-benzoic acid methyl ester,methyl2-bromo-3-methylbenzoate,benzoic acid, 2-bromo-3-methyl-, methyl ester,2-bromo-3-methylbenzoic acid methyl ester,methyl 2-bromo-3-methyl-benzoate,pubchem3966,acmc-1c3gk,methyl 2-bromo-m-toluate,intermediates-zcf02010,ksc495c9h |
| IUPAC Name | methyl 2-bromo-3-methylbenzoate |
| InChI Key | QAOFGUXVDAZKBW-UHFFFAOYSA-N |
| Molecular Formula | C9H9BrO2 |
2-Iodobenzamide 98.0+%, TCI America™
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CAS: 3930-83-4 Molecular Formula: C7H6INO Molecular Weight (g/mol): 247.035 MDL Number: MFCD00099248 InChI Key: YEOYYWCXWUDVCX-UHFFFAOYSA-N PubChem CID: 77529 IUPAC Name: 2-iodobenzamide SMILES: C1=CC=C(C(=C1)C(=O)N)I
| PubChem CID | 77529 |
|---|---|
| CAS | 3930-83-4 |
| Molecular Weight (g/mol) | 247.035 |
| MDL Number | MFCD00099248 |
| SMILES | C1=CC=C(C(=C1)C(=O)N)I |
| IUPAC Name | 2-iodobenzamide |
| InChI Key | YEOYYWCXWUDVCX-UHFFFAOYSA-N |
| Molecular Formula | C7H6INO |
1-(p-Toluenesulfonyl)-1,2,4-triazole 98.0+%, TCI America™
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2-Bromo-1-tetralone 97.0+%, TCI America™
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CAS: 13672-07-6 Molecular Formula: C10H9BrO Molecular Weight (g/mol): 225.085 MDL Number: MFCD00089999 InChI Key: AYNCWMIFKFADCZ-UHFFFAOYSA-N Synonym: 2-Bromo-3,4-dihydro-1(2H)-naphthalenone PubChem CID: 101120 IUPAC Name: 2-bromo-3,4-dihydro-2H-naphthalen-1-one SMILES: C1CC2=CC=CC=C2C(=O)C1Br
| PubChem CID | 101120 |
|---|---|
| CAS | 13672-07-6 |
| Molecular Weight (g/mol) | 225.085 |
| MDL Number | MFCD00089999 |
| SMILES | C1CC2=CC=CC=C2C(=O)C1Br |
| Synonym | 2-Bromo-3,4-dihydro-1(2H)-naphthalenone |
| IUPAC Name | 2-bromo-3,4-dihydro-2H-naphthalen-1-one |
| InChI Key | AYNCWMIFKFADCZ-UHFFFAOYSA-N |
| Molecular Formula | C10H9BrO |
6-Hydroxy-2-naphthonitrile 98.0+%, TCI America™
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CAS: 52927-22-7 Molecular Formula: C11H7NO Molecular Weight (g/mol): 169.18 MDL Number: MFCD01863480 InChI Key: WKTNIBWKHNIPQR-UHFFFAOYSA-N Synonym: 6-Cyano-2-naphthol PubChem CID: 4589476 IUPAC Name: 6-hydroxynaphthalene-2-carbonitrile SMILES: OC1=CC2=CC=C(C=C2C=C1)C#N
| PubChem CID | 4589476 |
|---|---|
| CAS | 52927-22-7 |
| Molecular Weight (g/mol) | 169.18 |
| MDL Number | MFCD01863480 |
| SMILES | OC1=CC2=CC=C(C=C2C=C1)C#N |
| Synonym | 6-Cyano-2-naphthol |
| IUPAC Name | 6-hydroxynaphthalene-2-carbonitrile |
| InChI Key | WKTNIBWKHNIPQR-UHFFFAOYSA-N |
| Molecular Formula | C11H7NO |
4,4'-Biphenyldimethanol 98.0+%, TCI America™
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CAS: 1667-12-5 Molecular Formula: C14H14O2 Molecular Weight (g/mol): 214.26 MDL Number: MFCD00016713 InChI Key: SFHGONLFTNHXDX-UHFFFAOYSA-N Synonym: 4,4′C-Bis(hydroxymethyl)biphenyl PubChem CID: 611786 IUPAC Name: [4'-(hydroxymethyl)-[1,1'-biphenyl]-4-yl]methanol SMILES: OCC1=CC=C(C=C1)C1=CC=C(CO)C=C1
| PubChem CID | 611786 |
|---|---|
| CAS | 1667-12-5 |
| Molecular Weight (g/mol) | 214.26 |
| MDL Number | MFCD00016713 |
| SMILES | OCC1=CC=C(C=C1)C1=CC=C(CO)C=C1 |
| Synonym | 4,4′C-Bis(hydroxymethyl)biphenyl |
| IUPAC Name | [4'-(hydroxymethyl)-[1,1'-biphenyl]-4-yl]methanol |
| InChI Key | SFHGONLFTNHXDX-UHFFFAOYSA-N |
| Molecular Formula | C14H14O2 |
N-Benzylethylenediamine 97.0+%, TCI America™
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CAS: 9-4-4152 Molecular Formula: C9H14N2 Molecular Weight (g/mol): 150.23 MDL Number: MFCD00041896 InChI Key: ACYBVNYNIZTUIL-UHFFFAOYSA-N Synonym: n-benzylethylenediamine,n1-benzylethane-1,2-diamine,2-aminoethyl benzyl amine,ethylenediamine, n-benzyl,1,2-ethanediamine, n-phenylmethyl,n-2-aminoethyl-n-benzylamine,2-benzylaminoethylamine,n-benzylethane-1,2-diamine,1,2-ethanediamine, n1-phenylmethyl,2-aminoethyl benzylamine PubChem CID: 77801 IUPAC Name: N'-benzylethane-1,2-diamine SMILES: C1=CC=C(C=C1)CNCCN
| PubChem CID | 77801 |
|---|---|
| CAS | 9-4-4152 |
| Molecular Weight (g/mol) | 150.23 |
| MDL Number | MFCD00041896 |
| SMILES | C1=CC=C(C=C1)CNCCN |
| Synonym | n-benzylethylenediamine,n1-benzylethane-1,2-diamine,2-aminoethyl benzyl amine,ethylenediamine, n-benzyl,1,2-ethanediamine, n-phenylmethyl,n-2-aminoethyl-n-benzylamine,2-benzylaminoethylamine,n-benzylethane-1,2-diamine,1,2-ethanediamine, n1-phenylmethyl,2-aminoethyl benzylamine |
| IUPAC Name | N'-benzylethane-1,2-diamine |
| InChI Key | ACYBVNYNIZTUIL-UHFFFAOYSA-N |
| Molecular Formula | C9H14N2 |
3-Phenoxypropionitrile 98.0+%, TCI America™
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CAS: 3055-86-5 Molecular Formula: C9H9NO Molecular Weight (g/mol): 147.18 MDL Number: MFCD00013822 InChI Key: IXAUFLAHUXISCH-UHFFFAOYSA-N PubChem CID: 76456 IUPAC Name: 3-phenoxypropanenitrile SMILES: N#CCCOC1=CC=CC=C1
| PubChem CID | 76456 |
|---|---|
| CAS | 3055-86-5 |
| Molecular Weight (g/mol) | 147.18 |
| MDL Number | MFCD00013822 |
| SMILES | N#CCCOC1=CC=CC=C1 |
| IUPAC Name | 3-phenoxypropanenitrile |
| InChI Key | IXAUFLAHUXISCH-UHFFFAOYSA-N |
| Molecular Formula | C9H9NO |
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 |
3,5-Dimethylnitrobenzene 98.0+%, TCI America™
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CAS: 99-12-7 Molecular Formula: C8H9NO2 Molecular Weight (g/mol): 151.17 MDL Number: MFCD00007269 InChI Key: BYFNZOKBMZKTSC-UHFFFAOYSA-N Synonym: 5-nitro-m-xylene,3,5-dimethylnitrobenzene,3,5-dimethyl-1-nitrobenzene,benzene, 1,3-dimethyl-5-nitro,nitroxylol,m-xylene, 5-nitro,unii-5hvw2qtf0d,ccris 3121,5hvw2qtf0d,5-nitro-m-xylol PubChem CID: 7426 IUPAC Name: 1,3-dimethyl-5-nitrobenzene SMILES: CC1=CC(=CC(C)=C1)[N+]([O-])=O
| PubChem CID | 7426 |
|---|---|
| CAS | 99-12-7 |
| Molecular Weight (g/mol) | 151.17 |
| MDL Number | MFCD00007269 |
| SMILES | CC1=CC(=CC(C)=C1)[N+]([O-])=O |
| Synonym | 5-nitro-m-xylene,3,5-dimethylnitrobenzene,3,5-dimethyl-1-nitrobenzene,benzene, 1,3-dimethyl-5-nitro,nitroxylol,m-xylene, 5-nitro,unii-5hvw2qtf0d,ccris 3121,5hvw2qtf0d,5-nitro-m-xylol |
| IUPAC Name | 1,3-dimethyl-5-nitrobenzene |
| InChI Key | BYFNZOKBMZKTSC-UHFFFAOYSA-N |
| Molecular Formula | C8H9NO2 |
3,4,5-Trifluorobenzyl Bromide 97.0+%, TCI America™
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CAS: 220141-72-0 Molecular Formula: C7H4BrF3 Molecular Weight (g/mol): 225.01 MDL Number: MFCD00083528 InChI Key: MPEKZIYOLQCWLL-UHFFFAOYSA-N Synonym: 3,4,5-trifluorobenzyl bromide,5-bromomethyl-1,2,3-trifluorobenzene,3,4,5-trifluorobenzylbromide,alpha-bromo-3,4,5-trifluorotoluene,3,4,5-trifluoro benzyl bromide,benzene, 5-bromomethyl-1,2,3-trifluoro,a-bromo-3,4,5-trifluorotoluene,pubchem4670,acmc-1cupe PubChem CID: 2777062 IUPAC Name: 5-(bromomethyl)-1,2,3-trifluorobenzene SMILES: FC1=CC(CBr)=CC(F)=C1F
| PubChem CID | 2777062 |
|---|---|
| CAS | 220141-72-0 |
| Molecular Weight (g/mol) | 225.01 |
| MDL Number | MFCD00083528 |
| SMILES | FC1=CC(CBr)=CC(F)=C1F |
| Synonym | 3,4,5-trifluorobenzyl bromide,5-bromomethyl-1,2,3-trifluorobenzene,3,4,5-trifluorobenzylbromide,alpha-bromo-3,4,5-trifluorotoluene,3,4,5-trifluoro benzyl bromide,benzene, 5-bromomethyl-1,2,3-trifluoro,a-bromo-3,4,5-trifluorotoluene,pubchem4670,acmc-1cupe |
| IUPAC Name | 5-(bromomethyl)-1,2,3-trifluorobenzene |
| InChI Key | MPEKZIYOLQCWLL-UHFFFAOYSA-N |
| Molecular Formula | C7H4BrF3 |
alpha,alpha,alpha'-Tris(4-hydroxyphenyl)-1-ethyl-4-isopropylbenzene 98.0+%, TCI America™
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CAS: 110726-28-8 Molecular Formula: C29H28O3 Molecular Weight (g/mol): 424.54 MDL Number: MFCD00191685 InChI Key: WXYSZTISEJBRHW-UHFFFAOYSA-N Synonym: 4-[4-[1,1-Bis(4-hydroxyphenyl)ethyl]]-alpha,alpha-dimethylbenzylphenol PubChem CID: 634278 IUPAC Name: 4-[2-[4-[1,1-bis(4-hydroxyphenyl)ethyl]phenyl]propan-2-yl]phenol SMILES: CC(C)(C1=CC=C(C=C1)C(C)(C2=CC=C(C=C2)O)C3=CC=C(C=C3)O)C4=CC=C(C=C4)O
| PubChem CID | 634278 |
|---|---|
| CAS | 110726-28-8 |
| Molecular Weight (g/mol) | 424.54 |
| MDL Number | MFCD00191685 |
| SMILES | CC(C)(C1=CC=C(C=C1)C(C)(C2=CC=C(C=C2)O)C3=CC=C(C=C3)O)C4=CC=C(C=C4)O |
| Synonym | 4-[4-[1,1-Bis(4-hydroxyphenyl)ethyl]]-alpha,alpha-dimethylbenzylphenol |
| IUPAC Name | 4-[2-[4-[1,1-bis(4-hydroxyphenyl)ethyl]phenyl]propan-2-yl]phenol |
| InChI Key | WXYSZTISEJBRHW-UHFFFAOYSA-N |
| Molecular Formula | C29H28O3 |