Benzenoids
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N-[(9H-Fluoren-9-ylmethoxy)carbonyl]-L-2-phenylglycine 98.0+%, TCI America™
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CAS: 102410-65-1 Molecular Formula: C23H19NO4 Molecular Weight (g/mol): 373.408 MDL Number: MFCD00155632 InChI Key: PCJHOCNJLMFYCV-NRFANRHFSA-N Synonym: fmoc-phg-oh,fmoc-l-phenylglycine,s-2-9h-fluoren-9-yl methoxy carbonyl amino-2-phenylacetic acid,n-fmoc-l-2-phenylglycine,fmoc-s-phenylglycine,n-9h-fluoren-9-ylmethoxy carbonyl-l-2-phenylglycine,n-alpha-9-fluorenylmethyloxycarbonyl-l-phenylglycine,s-9h-fluoren-9-ylmethoxycarbonylamino-phenyl-acetic acid,s-9h-fluoren-9-ylmethoxy carbonyl amino phenyl acetic acid,2s-9h-fluoren-9-yl-methoxy carbonyl amino phenyl acetic acid PubChem CID: 7269367 IUPAC Name: (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-phenylacetic acid SMILES: C1=CC=C(C=C1)C(C(=O)O)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24
| PubChem CID | 7269367 |
|---|---|
| CAS | 102410-65-1 |
| Molecular Weight (g/mol) | 373.408 |
| MDL Number | MFCD00155632 |
| SMILES | C1=CC=C(C=C1)C(C(=O)O)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24 |
| Synonym | fmoc-phg-oh,fmoc-l-phenylglycine,s-2-9h-fluoren-9-yl methoxy carbonyl amino-2-phenylacetic acid,n-fmoc-l-2-phenylglycine,fmoc-s-phenylglycine,n-9h-fluoren-9-ylmethoxy carbonyl-l-2-phenylglycine,n-alpha-9-fluorenylmethyloxycarbonyl-l-phenylglycine,s-9h-fluoren-9-ylmethoxycarbonylamino-phenyl-acetic acid,s-9h-fluoren-9-ylmethoxy carbonyl amino phenyl acetic acid,2s-9h-fluoren-9-yl-methoxy carbonyl amino phenyl acetic acid |
| IUPAC Name | (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-phenylacetic acid |
| InChI Key | PCJHOCNJLMFYCV-NRFANRHFSA-N |
| Molecular Formula | C23H19NO4 |
4,4-Diphenylcyclohexanol 98.0+%, TCI America™
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CAS: 42420-85-9 Molecular Formula: C18H20O Molecular Weight (g/mol): 252.357 MDL Number: MFCD00087400 InChI Key: UUQQLWRHPNEFIG-UHFFFAOYSA-N PubChem CID: 10966998 IUPAC Name: 4,4-diphenylcyclohexan-1-ol SMILES: C1CC(CCC1O)(C2=CC=CC=C2)C3=CC=CC=C3
| PubChem CID | 10966998 |
|---|---|
| CAS | 42420-85-9 |
| Molecular Weight (g/mol) | 252.357 |
| MDL Number | MFCD00087400 |
| SMILES | C1CC(CCC1O)(C2=CC=CC=C2)C3=CC=CC=C3 |
| IUPAC Name | 4,4-diphenylcyclohexan-1-ol |
| InChI Key | UUQQLWRHPNEFIG-UHFFFAOYSA-N |
| Molecular Formula | C18H20O |
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 |
4-Chlorobenzaldehyde 97.0+%, TCI America™
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CAS: 104-88-1 Molecular Formula: C7H5ClO Molecular Weight (g/mol): 140.566 MDL Number: MFCD00003379 InChI Key: AVPYQKSLYISFPO-UHFFFAOYSA-N Synonym: p-chlorobenzaldehyde,benzaldehyde, 4-chloro,benzaldehyde, p-chloro,p-chlorobenzenecarboxaldehyde,4-chloro-benzaldehyde,4-chlorobenzenaldehyde,4-chloro benzaldehyde,ccris 857,para-chlorobenzaldehyde,unii-e67727up9z PubChem CID: 7726 ChEBI: CHEBI:28105 IUPAC Name: 4-chlorobenzaldehyde SMILES: C1=CC(=CC=C1C=O)Cl
| PubChem CID | 7726 |
|---|---|
| CAS | 104-88-1 |
| Molecular Weight (g/mol) | 140.566 |
| ChEBI | CHEBI:28105 |
| MDL Number | MFCD00003379 |
| SMILES | C1=CC(=CC=C1C=O)Cl |
| Synonym | p-chlorobenzaldehyde,benzaldehyde, 4-chloro,benzaldehyde, p-chloro,p-chlorobenzenecarboxaldehyde,4-chloro-benzaldehyde,4-chlorobenzenaldehyde,4-chloro benzaldehyde,ccris 857,para-chlorobenzaldehyde,unii-e67727up9z |
| IUPAC Name | 4-chlorobenzaldehyde |
| InChI Key | AVPYQKSLYISFPO-UHFFFAOYSA-N |
| Molecular Formula | C7H5ClO |
3-(4-Bromophenyl)-1-propanol 98.0+%, TCI America™
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CAS: 25574-11-2 Molecular Formula: C9H11BrO Molecular Weight (g/mol): 215.09 MDL Number: MFCD09028724 InChI Key: WODKXGCVVOOEIJ-UHFFFAOYSA-N Synonym: 3-4-bromophenyl propan-1-ol,4-bromobenzenepropanol,3-4-bromo-phenyl-propan-1-ol,benzenepropanol, 4-bromo,3-4-bromophenyl-1-propanol,pubchem3984,3-4-bromophenyl propanol,3-4-bromophenyl-propanol,amth183,3-4-bromophenyl propyl alcohol PubChem CID: 10560614 IUPAC Name: 3-(4-bromophenyl)propan-1-ol SMILES: C1=CC(=CC=C1CCCO)Br
| PubChem CID | 10560614 |
|---|---|
| CAS | 25574-11-2 |
| Molecular Weight (g/mol) | 215.09 |
| MDL Number | MFCD09028724 |
| SMILES | C1=CC(=CC=C1CCCO)Br |
| Synonym | 3-4-bromophenyl propan-1-ol,4-bromobenzenepropanol,3-4-bromo-phenyl-propan-1-ol,benzenepropanol, 4-bromo,3-4-bromophenyl-1-propanol,pubchem3984,3-4-bromophenyl propanol,3-4-bromophenyl-propanol,amth183,3-4-bromophenyl propyl alcohol |
| IUPAC Name | 3-(4-bromophenyl)propan-1-ol |
| InChI Key | WODKXGCVVOOEIJ-UHFFFAOYSA-N |
| Molecular Formula | C9H11BrO |
4-Bromo-2-methylbenzonitrile 98.0+%, TCI America™
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CAS: 67832-11-5 Molecular Formula: C8H6BrN Molecular Weight (g/mol): 196.05 MDL Number: MFCD00041461 InChI Key: LPEBMDFRIKYFCF-UHFFFAOYSA-N Synonym: benzonitrile, 4-bromo-2-methyl,5-bromo-2-cyanotoluene,4-bromo-2-methyl-benzonitrile,2-methyl-4-bromo benzonitrile,2-methyl-4-bromobenzonitrile,4-bromo-2-methylbenzene carbonitrile,4-bromo-2-methylbenzenecarbonitrile,pubchem4721,4-bromo-methylbenzonitrile,4bromo-2-methylbenzonitrile PubChem CID: 144267 IUPAC Name: 4-bromo-2-methylbenzonitrile SMILES: CC1=CC(Br)=CC=C1C#N
| PubChem CID | 144267 |
|---|---|
| CAS | 67832-11-5 |
| Molecular Weight (g/mol) | 196.05 |
| MDL Number | MFCD00041461 |
| SMILES | CC1=CC(Br)=CC=C1C#N |
| Synonym | benzonitrile, 4-bromo-2-methyl,5-bromo-2-cyanotoluene,4-bromo-2-methyl-benzonitrile,2-methyl-4-bromo benzonitrile,2-methyl-4-bromobenzonitrile,4-bromo-2-methylbenzene carbonitrile,4-bromo-2-methylbenzenecarbonitrile,pubchem4721,4-bromo-methylbenzonitrile,4bromo-2-methylbenzonitrile |
| IUPAC Name | 4-bromo-2-methylbenzonitrile |
| InChI Key | LPEBMDFRIKYFCF-UHFFFAOYSA-N |
| Molecular Formula | C8H6BrN |
1-Pyreneboronic Acid (contains varying amounts of Anhydride), TCI America™
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| PubChem CID | 5084102 |
|---|---|
| CAS | 164461-18-1 |
| Molecular Weight (g/mol) | 246.072 |
| Physical Form | Crystalline Powder |
| SMILES | B(C1=C2C=CC3=CC=CC4=C3C2=C(C=C1)C=C4)(O)O |
| Synonym | 1-pyrenylboronic acid,1-pyreneboronic acid,pyrene-1-boronic acid,1-boronopyrene,1-pyrenyl boronic acid |
| TSCA | No |
| IUPAC Name | pyren-1-ylboronic acid |
| InChI Key | MWEKPLLMFXIZOC-UHFFFAOYSA-N |
| Molecular Formula | C16H11BO2 |
| Formula Weight | 246.07 |
| Melting Point | 251°C |
4-tert-Butylphenyl Isothiocyanate 98.0+%, TCI America™
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CAS: 19241-24-8 Molecular Formula: C11H13NS Molecular Weight (g/mol): 191.292 MDL Number: MFCD00022059 InChI Key: OCGNNCBNRBTUCG-UHFFFAOYSA-N Synonym: 4-tert-butylphenyl isothiocyanate,4-t-butylphenyl isothiocyanate,benzene,1-1,1-dimethylethyl-4-isothiocyanato,4-tert-butyl phenyl isothiocyanate,benzene, 1-1,1-dimethylethyl-4-isothiocyanato,4-tert-butylphenylisothiocyanate,zlchem 964,4-t-butylphenylisothiocyanate,p-t-butylphenyl isothiocyanate,4-tert-butylphenyl-isothiocyanate PubChem CID: 140503 IUPAC Name: 1-tert-butyl-4-isothiocyanatobenzene SMILES: CC(C)(C)C1=CC=C(C=C1)N=C=S
| PubChem CID | 140503 |
|---|---|
| CAS | 19241-24-8 |
| Molecular Weight (g/mol) | 191.292 |
| MDL Number | MFCD00022059 |
| SMILES | CC(C)(C)C1=CC=C(C=C1)N=C=S |
| Synonym | 4-tert-butylphenyl isothiocyanate,4-t-butylphenyl isothiocyanate,benzene,1-1,1-dimethylethyl-4-isothiocyanato,4-tert-butyl phenyl isothiocyanate,benzene, 1-1,1-dimethylethyl-4-isothiocyanato,4-tert-butylphenylisothiocyanate,zlchem 964,4-t-butylphenylisothiocyanate,p-t-butylphenyl isothiocyanate,4-tert-butylphenyl-isothiocyanate |
| IUPAC Name | 1-tert-butyl-4-isothiocyanatobenzene |
| InChI Key | OCGNNCBNRBTUCG-UHFFFAOYSA-N |
| Molecular Formula | C11H13NS |
Sodium 3-Nitrosalicylate 99.0+%, TCI America™
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CAS: 164915-53-1 Molecular Formula: C7H4NNaO5 Molecular Weight (g/mol): 205.10 MDL Number: MFCD00070529 InChI Key: DLXOJVOMIITILS-UHFFFAOYSA-M Synonym: 3-Nitrosalicylic Acid Sodium Salt PubChem CID: 54726778 IUPAC Name: sodium 2-carboxy-6-nitrobenzen-1-olate SMILES: [Na+].OC(=O)C1=C([O-])C(=CC=C1)[N+]([O-])=O
| PubChem CID | 54726778 |
|---|---|
| CAS | 164915-53-1 |
| Molecular Weight (g/mol) | 205.10 |
| MDL Number | MFCD00070529 |
| SMILES | [Na+].OC(=O)C1=C([O-])C(=CC=C1)[N+]([O-])=O |
| Synonym | 3-Nitrosalicylic Acid Sodium Salt |
| IUPAC Name | sodium 2-carboxy-6-nitrobenzen-1-olate |
| InChI Key | DLXOJVOMIITILS-UHFFFAOYSA-M |
| Molecular Formula | C7H4NNaO5 |
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 |
2,3,6,7,10,11-Hexakis[(n-octyl)oxy]triphenylene 98.0+%, TCI America™
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CAS: 70351-87-0 Molecular Formula: C66H108O6 Molecular Weight (g/mol): 997.58 MDL Number: MFCD20528916 InChI Key: IUFDADHEWRYRSP-UHFFFAOYSA-N PubChem CID: 15219108 IUPAC Name: 2,3,6,7,10,11-hexakis(octyloxy)triphenylene SMILES: CCCCCCCCOC1=C(OCCCCCCCC)C=C2C(=C1)C1=CC(OCCCCCCCC)=C(OCCCCCCCC)C=C1C1=CC(OCCCCCCCC)=C(OCCCCCCCC)C=C21
| PubChem CID | 15219108 |
|---|---|
| CAS | 70351-87-0 |
| Molecular Weight (g/mol) | 997.58 |
| MDL Number | MFCD20528916 |
| SMILES | CCCCCCCCOC1=C(OCCCCCCCC)C=C2C(=C1)C1=CC(OCCCCCCCC)=C(OCCCCCCCC)C=C1C1=CC(OCCCCCCCC)=C(OCCCCCCCC)C=C21 |
| IUPAC Name | 2,3,6,7,10,11-hexakis(octyloxy)triphenylene |
| InChI Key | IUFDADHEWRYRSP-UHFFFAOYSA-N |
| Molecular Formula | C66H108O6 |
2,5-Dimethoxyphenylacetic Acid 98.0+%, TCI America™
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CAS: 1758-25-4 Molecular Formula: C10H12O4 Molecular Weight (g/mol): 196.202 MDL Number: MFCD00004322 InChI Key: BBZDYQUXRFATHZ-UHFFFAOYSA-N Synonym: 2,5-dimethoxyphenylacetic acid,2-2,5-dimethoxyphenyl acetic acid,2,5-dimethoxyphenyl acetic acid,benzeneacetic acid, 2,5-dimethoxy,acetic acid, 2,5-dimethoxyphenyl,2,5-dimethoxyphenyl-acetic acid,acmc-209eai,2,5-dimethoxyphenyl,rarechem al bo 0334,2,5-dimethoxy-phenethyl acid PubChem CID: 74469 IUPAC Name: 2-(2,5-dimethoxyphenyl)acetic acid SMILES: COC1=CC(=C(C=C1)OC)CC(=O)O
| PubChem CID | 74469 |
|---|---|
| CAS | 1758-25-4 |
| Molecular Weight (g/mol) | 196.202 |
| MDL Number | MFCD00004322 |
| SMILES | COC1=CC(=C(C=C1)OC)CC(=O)O |
| Synonym | 2,5-dimethoxyphenylacetic acid,2-2,5-dimethoxyphenyl acetic acid,2,5-dimethoxyphenyl acetic acid,benzeneacetic acid, 2,5-dimethoxy,acetic acid, 2,5-dimethoxyphenyl,2,5-dimethoxyphenyl-acetic acid,acmc-209eai,2,5-dimethoxyphenyl,rarechem al bo 0334,2,5-dimethoxy-phenethyl acid |
| IUPAC Name | 2-(2,5-dimethoxyphenyl)acetic acid |
| InChI Key | BBZDYQUXRFATHZ-UHFFFAOYSA-N |
| Molecular Formula | C10H12O4 |
4'-Propyl-4-biphenylboronic Acid (contains varying amounts of Anhydride), TCI America™
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| PubChem CID | 19042596 |
|---|---|
| CAS | 153035-56-4 |
| Molecular Weight (g/mol) | 240.109 |
| MDL Number | MFCD01114670 |
| Color | White-Yellow |
| Physical Form | Crystalline Powder |
| SMILES | B(C1=CC=C(C=C1)C2=CC=C(C=C2)CCC)(O)O |
| TSCA | No |
| IUPAC Name | [4-(4-propylphenyl)phenyl]boronic acid |
| InChI Key | NOQFUISBLHCDSR-UHFFFAOYSA-N |
| Molecular Formula | C15H17BO2 |
| Formula Weight | 240.11 |
Bis(4-cyanophenyl) Ether 98.0+%, TCI America™
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CAS: 6508-04-9 Molecular Formula: C14H8N2O Molecular Weight (g/mol): 220.23 InChI Key: RSAUOQFEFINEDM-UHFFFAOYSA-N PubChem CID: 81004 IUPAC Name: 4-(4-cyanophenoxy)benzonitrile SMILES: C1=CC(=CC=C1C#N)OC2=CC=C(C=C2)C#N
| PubChem CID | 81004 |
|---|---|
| CAS | 6508-04-9 |
| Molecular Weight (g/mol) | 220.23 |
| SMILES | C1=CC(=CC=C1C#N)OC2=CC=C(C=C2)C#N |
| IUPAC Name | 4-(4-cyanophenoxy)benzonitrile |
| InChI Key | RSAUOQFEFINEDM-UHFFFAOYSA-N |
| Molecular Formula | C14H8N2O |
2,2,2-Trifluoro-N-(4-methoxyphenyl)acetimidoyl Chloride 98.0+%, TCI America™
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CAS: 75999-66-5 Molecular Formula: C9H7ClF3NO Molecular Weight (g/mol): 237.606 MDL Number: MFCD09030149 InChI Key: CIRVADWNFWYATJ-UHFFFAOYSA-N PubChem CID: 10421682 IUPAC Name: 2,2,2-trifluoro-N-(4-methoxyphenyl)ethanimidoyl chloride SMILES: COC1=CC=C(C=C1)N=C(C(F)(F)F)Cl
| PubChem CID | 10421682 |
|---|---|
| CAS | 75999-66-5 |
| Molecular Weight (g/mol) | 237.606 |
| MDL Number | MFCD09030149 |
| SMILES | COC1=CC=C(C=C1)N=C(C(F)(F)F)Cl |
| IUPAC Name | 2,2,2-trifluoro-N-(4-methoxyphenyl)ethanimidoyl chloride |
| InChI Key | CIRVADWNFWYATJ-UHFFFAOYSA-N |
| Molecular Formula | C9H7ClF3NO |