Benzenoids
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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-(trans-4-Amylcyclohexyl)phenol 98.0+%, TCI America™
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CAS: 82575-69-7 Molecular Formula: C17H26O Molecular Weight (g/mol): 246.39 MDL Number: MFCD00673750 InChI Key: QRAZRBGYBYIGRL-UHFFFAOYSA-N Synonym: 1-(trans-4-Amylcyclohexyl)-4-hydroxybenzene, 4-(trans-4-Pentylcyclohexyl)phenol, 1-(trans-4-Pentylcyclohexyl)-4-hydroxybenzene PubChem CID: 4593765 IUPAC Name: 4-(4-pentylcyclohexyl)phenol SMILES: CCCCCC1CCC(CC1)C1=CC=C(O)C=C1
| PubChem CID | 4593765 |
|---|---|
| CAS | 82575-69-7 |
| Molecular Weight (g/mol) | 246.39 |
| MDL Number | MFCD00673750 |
| SMILES | CCCCCC1CCC(CC1)C1=CC=C(O)C=C1 |
| Synonym | 1-(trans-4-Amylcyclohexyl)-4-hydroxybenzene, 4-(trans-4-Pentylcyclohexyl)phenol, 1-(trans-4-Pentylcyclohexyl)-4-hydroxybenzene |
| IUPAC Name | 4-(4-pentylcyclohexyl)phenol |
| InChI Key | QRAZRBGYBYIGRL-UHFFFAOYSA-N |
| Molecular Formula | C17H26O |
2-Bromobenzyl Bromide 98.0+%, TCI America™
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CAS: 3433-80-5 Molecular Formula: C7H6Br2 Molecular Weight (g/mol): 249.933 MDL Number: MFCD00000173 InChI Key: LZSYGJNFCREHMD-UHFFFAOYSA-N Synonym: 2-bromobenzyl bromide,o-bromobenzyl bromide,1-bromo-2-bromomethyl benzene,2-bromobenzylbromide,alpha,2-dibromotoluene,benzene, 1-bromo-2-bromomethyl,alpha,o-dibromotoluene,benzene, bromo bromomethyl,alpha-2-dibromotoluene,a,o-dibromotoluene PubChem CID: 76965 IUPAC Name: 1-bromo-2-(bromomethyl)benzene SMILES: C1=CC=C(C(=C1)CBr)Br
| PubChem CID | 76965 |
|---|---|
| CAS | 3433-80-5 |
| Molecular Weight (g/mol) | 249.933 |
| MDL Number | MFCD00000173 |
| SMILES | C1=CC=C(C(=C1)CBr)Br |
| Synonym | 2-bromobenzyl bromide,o-bromobenzyl bromide,1-bromo-2-bromomethyl benzene,2-bromobenzylbromide,alpha,2-dibromotoluene,benzene, 1-bromo-2-bromomethyl,alpha,o-dibromotoluene,benzene, bromo bromomethyl,alpha-2-dibromotoluene,a,o-dibromotoluene |
| IUPAC Name | 1-bromo-2-(bromomethyl)benzene |
| InChI Key | LZSYGJNFCREHMD-UHFFFAOYSA-N |
| Molecular Formula | C7H6Br2 |
4-Hexylphenol 98.0+%, TCI America™
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CAS: 2446-69-7 Molecular Formula: C12H18O Molecular Weight (g/mol): 178.28 MDL Number: MFCD00051313 InChI Key: SZWBRVPZWJYIHI-UHFFFAOYSA-N Synonym: 4-n-hexylphenol,phenol, 4-hexyl,p-hexylphenol,p-n-hexylphenol,phenol,4-hexyl,unii-3v1ke0n8d5,phenol, p-hexyl,acmc-209gch,1-4-hydroxyphenyl hexane,bidd:er0077 PubChem CID: 17132 ChEBI: CHEBI:34439 IUPAC Name: 4-hexylphenol SMILES: CCCCCCC1=CC=C(O)C=C1
| PubChem CID | 17132 |
|---|---|
| CAS | 2446-69-7 |
| Molecular Weight (g/mol) | 178.28 |
| ChEBI | CHEBI:34439 |
| MDL Number | MFCD00051313 |
| SMILES | CCCCCCC1=CC=C(O)C=C1 |
| Synonym | 4-n-hexylphenol,phenol, 4-hexyl,p-hexylphenol,p-n-hexylphenol,phenol,4-hexyl,unii-3v1ke0n8d5,phenol, p-hexyl,acmc-209gch,1-4-hydroxyphenyl hexane,bidd:er0077 |
| IUPAC Name | 4-hexylphenol |
| InChI Key | SZWBRVPZWJYIHI-UHFFFAOYSA-N |
| Molecular Formula | C12H18O |
Pinostilbene 97.0+%, TCI America™
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CAS: 42438-89-1 Molecular Formula: C15H14O3 Molecular Weight (g/mol): 242.27 MDL Number: MFCD12407153,MFCD20527315 InChI Key: KUWZXOMQXYWKBS-UHFFFAOYSA-N Synonym: 3,4′C-Dihydroxy-5-methoxy-trans-stilbene PubChem CID: 5473050 ChEBI: CHEBI:63672 IUPAC Name: 3-[2-(4-hydroxyphenyl)ethenyl]-5-methoxyphenol SMILES: COC1=CC(C=CC2=CC=C(O)C=C2)=CC(O)=C1
| PubChem CID | 5473050 |
|---|---|
| CAS | 42438-89-1 |
| Molecular Weight (g/mol) | 242.27 |
| ChEBI | CHEBI:63672 |
| MDL Number | MFCD12407153,MFCD20527315 |
| SMILES | COC1=CC(C=CC2=CC=C(O)C=C2)=CC(O)=C1 |
| Synonym | 3,4′C-Dihydroxy-5-methoxy-trans-stilbene |
| IUPAC Name | 3-[2-(4-hydroxyphenyl)ethenyl]-5-methoxyphenol |
| InChI Key | KUWZXOMQXYWKBS-UHFFFAOYSA-N |
| Molecular Formula | C15H14O3 |
Isoproturon 98.0+%, TCI America™
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CAS: 34123-59-6 Molecular Formula: C12H18N2O Molecular Weight (g/mol): 206.289 MDL Number: MFCD00078684 InChI Key: PUIYMUZLKQOUOZ-UHFFFAOYSA-N Synonym: isoproturon,graminon,3-4-isopropylphenyl-1,1-dimethylurea,tolkan,arelon,belgran,arelon r,nocilon,ipu stefes,ip-flo PubChem CID: 36679 ChEBI: CHEBI:6049 IUPAC Name: 1,1-dimethyl-3-(4-propan-2-ylphenyl)urea SMILES: CC(C)C1=CC=C(C=C1)NC(=O)N(C)C
| PubChem CID | 36679 |
|---|---|
| CAS | 34123-59-6 |
| Molecular Weight (g/mol) | 206.289 |
| ChEBI | CHEBI:6049 |
| MDL Number | MFCD00078684 |
| SMILES | CC(C)C1=CC=C(C=C1)NC(=O)N(C)C |
| Synonym | isoproturon,graminon,3-4-isopropylphenyl-1,1-dimethylurea,tolkan,arelon,belgran,arelon r,nocilon,ipu stefes,ip-flo |
| IUPAC Name | 1,1-dimethyl-3-(4-propan-2-ylphenyl)urea |
| InChI Key | PUIYMUZLKQOUOZ-UHFFFAOYSA-N |
| Molecular Formula | C12H18N2O |
2-(3,4-Dihydroxyphenyl)ethyl Alcohol 98.0+%, TCI America™
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CAS: 10597-60-1 Molecular Formula: C8H10O3 Molecular Weight (g/mol): 154.165 MDL Number: MFCD01320529 InChI Key: JUUBCHWRXWPFFH-UHFFFAOYSA-N Synonym: 3,4-Dihydroxyphenethyl Alcohol, 2-(3,4-Dihydroxyphenyl)ethanol PubChem CID: 82755 ChEBI: CHEBI:68889 IUPAC Name: 4-(2-hydroxyethyl)benzene-1,2-diol SMILES: C1=CC(=C(C=C1CCO)O)O
| PubChem CID | 82755 |
|---|---|
| CAS | 10597-60-1 |
| Molecular Weight (g/mol) | 154.165 |
| ChEBI | CHEBI:68889 |
| MDL Number | MFCD01320529 |
| SMILES | C1=CC(=C(C=C1CCO)O)O |
| Synonym | 3,4-Dihydroxyphenethyl Alcohol, 2-(3,4-Dihydroxyphenyl)ethanol |
| IUPAC Name | 4-(2-hydroxyethyl)benzene-1,2-diol |
| InChI Key | JUUBCHWRXWPFFH-UHFFFAOYSA-N |
| Molecular Formula | C8H10O3 |
2,5-Bis(4-bromophenyl)-1,1-dimethyl-3,4-diphenylsilole 95.0+%, TCI America™
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CAS: 866769-99-5 Molecular Formula: C30H24Br2Si Molecular Weight (g/mol): 572.42 MDL Number: MFCD28384134 InChI Key: ZIHPPFVYCIHQLQ-UHFFFAOYSA-N Synonym: 2,5-Bis(4-bromophenyl)-1,1-dimethyl-3,4-diphenylsilacyclopenta-2,4-diene PubChem CID: 91972159 IUPAC Name: 2,5-bis(4-bromophenyl)-1,1-dimethyl-3,4-diphenyl-1H-silole SMILES: C[Si]1(C)C(=C(C(=C1C1=CC=C(Br)C=C1)C1=CC=CC=C1)C1=CC=CC=C1)C1=CC=C(Br)C=C1
| PubChem CID | 91972159 |
|---|---|
| CAS | 866769-99-5 |
| Molecular Weight (g/mol) | 572.42 |
| MDL Number | MFCD28384134 |
| SMILES | C[Si]1(C)C(=C(C(=C1C1=CC=C(Br)C=C1)C1=CC=CC=C1)C1=CC=CC=C1)C1=CC=C(Br)C=C1 |
| Synonym | 2,5-Bis(4-bromophenyl)-1,1-dimethyl-3,4-diphenylsilacyclopenta-2,4-diene |
| IUPAC Name | 2,5-bis(4-bromophenyl)-1,1-dimethyl-3,4-diphenyl-1H-silole |
| InChI Key | ZIHPPFVYCIHQLQ-UHFFFAOYSA-N |
| Molecular Formula | C30H24Br2Si |
Diphenhydramine 98.0+%, TCI America™
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CAS: 58-73-1 Molecular Formula: C17H21NO Molecular Weight (g/mol): 255.361 MDL Number: MFCD00274173 InChI Key: ZZVUWRFHKOJYTH-UHFFFAOYSA-N Synonym: 2-Diphenylmethoxy-N,N-dimethylethylamine, 2-(Benzhydryloxy)-N,N-dimethylethylamine PubChem CID: 3100 ChEBI: CHEBI:4636 IUPAC Name: 2-benzhydryloxy-N,N-dimethylethanamine SMILES: CN(C)CCOC(C1=CC=CC=C1)C2=CC=CC=C2
| PubChem CID | 3100 |
|---|---|
| CAS | 58-73-1 |
| Molecular Weight (g/mol) | 255.361 |
| ChEBI | CHEBI:4636 |
| MDL Number | MFCD00274173 |
| SMILES | CN(C)CCOC(C1=CC=CC=C1)C2=CC=CC=C2 |
| Synonym | 2-Diphenylmethoxy-N,N-dimethylethylamine, 2-(Benzhydryloxy)-N,N-dimethylethylamine |
| IUPAC Name | 2-benzhydryloxy-N,N-dimethylethanamine |
| InChI Key | ZZVUWRFHKOJYTH-UHFFFAOYSA-N |
| Molecular Formula | C17H21NO |
Thiobenzoic Acid 93.0+%, TCI America™
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CAS: 98-91-9 Molecular Formula: C7H6OS Molecular Weight (g/mol): 138.184 MDL Number: MFCD00004852 InChI Key: UIJGNTRUPZPVNG-UHFFFAOYSA-N Synonym: thiobenzoic acid,benzenecarbothioic acid,benzoyl thiol,monothiobenzoic acid,benzoic acid, thio,acido mercaptobenzoico,unii-gbg5rlo56n,ccris 8913,acido mercaptobenzoico italian,gbg5rlo56n PubChem CID: 7414 IUPAC Name: benzenecarbothioic S-acid SMILES: C1=CC=C(C=C1)C(=O)S
| PubChem CID | 7414 |
|---|---|
| CAS | 98-91-9 |
| Molecular Weight (g/mol) | 138.184 |
| MDL Number | MFCD00004852 |
| SMILES | C1=CC=C(C=C1)C(=O)S |
| Synonym | thiobenzoic acid,benzenecarbothioic acid,benzoyl thiol,monothiobenzoic acid,benzoic acid, thio,acido mercaptobenzoico,unii-gbg5rlo56n,ccris 8913,acido mercaptobenzoico italian,gbg5rlo56n |
| IUPAC Name | benzenecarbothioic S-acid |
| InChI Key | UIJGNTRUPZPVNG-UHFFFAOYSA-N |
| Molecular Formula | C7H6OS |
3,4,5-Trimethoxyphenylacetic Acid 98.0+%, TCI America™
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CAS: 951-82-6 Molecular Formula: C11H14O5 Molecular Weight (g/mol): 226.228 MDL Number: MFCD00004336 InChI Key: DDSJXCGGOXKGSJ-UHFFFAOYSA-N Synonym: 3,4,5-trimethoxyphenylacetic acid,2-3,4,5-trimethoxyphenyl acetic acid,3,4,5-trimethoxyphenyl acetic acid,benzeneacetic acid, 3,4,5-trimethoxy,3,4,5-trimethoxyphenylaceticacid,pubchem14015,acmc-209rv8,ksc487g4j,3,4,5-trimethoxybenzeneacetic acid,benzeneacetic acid,4,5-trimethoxy PubChem CID: 70372 IUPAC Name: 2-(3,4,5-trimethoxyphenyl)acetic acid SMILES: COC1=CC(=CC(=C1OC)OC)CC(=O)O
| PubChem CID | 70372 |
|---|---|
| CAS | 951-82-6 |
| Molecular Weight (g/mol) | 226.228 |
| MDL Number | MFCD00004336 |
| SMILES | COC1=CC(=CC(=C1OC)OC)CC(=O)O |
| Synonym | 3,4,5-trimethoxyphenylacetic acid,2-3,4,5-trimethoxyphenyl acetic acid,3,4,5-trimethoxyphenyl acetic acid,benzeneacetic acid, 3,4,5-trimethoxy,3,4,5-trimethoxyphenylaceticacid,pubchem14015,acmc-209rv8,ksc487g4j,3,4,5-trimethoxybenzeneacetic acid,benzeneacetic acid,4,5-trimethoxy |
| IUPAC Name | 2-(3,4,5-trimethoxyphenyl)acetic acid |
| InChI Key | DDSJXCGGOXKGSJ-UHFFFAOYSA-N |
| Molecular Formula | C11H14O5 |
Fullerene C70 98.0+%, TCI America™
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CAS: 115383-22-7 Molecular Formula: C70 Molecular Weight (g/mol): 840.77 MDL Number: MFCD00146976 InChI Key: ATLMFJTZZPOKLC-UHFFFAOYSA-N Synonym: fullerene,fullerene 70,rugbyballene,carbon,70-d5h fullerene,buckminsterfullerene,5,6 fullerene-c70-d5h 6,c70-d5h 6 5,6 fullerene,fullerene powder, c 250mg PubChem CID: 16131935 ChEBI: CHEBI:33195 IUPAC Name: (C\{70}-D\{5h(6)})[5,6]fullerene SMILES: C12=C3C4=C5C6=C7C8=C9C%10=C%11C%12=C%13C%10=C%10C8=C5C1=C%10C1=C%13C5=C8C1=C2C1=C3C2=C3C%10=C%13C%14=C3C1=C8C1=C3C5=C%12C5=C8C%11=C%11C9=C7C7=C9C6=C4C2=C2C%10=C4C(=C29)C2=C6C(=C8C8=C9C6=C4C%13=C9C(=C%141)C3=C85)C%11=C27
| PubChem CID | 16131935 |
|---|---|
| CAS | 115383-22-7 |
| Molecular Weight (g/mol) | 840.77 |
| ChEBI | CHEBI:33195 |
| MDL Number | MFCD00146976 |
| SMILES | C12=C3C4=C5C6=C7C8=C9C%10=C%11C%12=C%13C%10=C%10C8=C5C1=C%10C1=C%13C5=C8C1=C2C1=C3C2=C3C%10=C%13C%14=C3C1=C8C1=C3C5=C%12C5=C8C%11=C%11C9=C7C7=C9C6=C4C2=C2C%10=C4C(=C29)C2=C6C(=C8C8=C9C6=C4C%13=C9C(=C%141)C3=C85)C%11=C27 |
| Synonym | fullerene,fullerene 70,rugbyballene,carbon,70-d5h fullerene,buckminsterfullerene,5,6 fullerene-c70-d5h 6,c70-d5h 6 5,6 fullerene,fullerene powder, c 250mg |
| IUPAC Name | (C\{70}-D\{5h(6)})[5,6]fullerene |
| InChI Key | ATLMFJTZZPOKLC-UHFFFAOYSA-N |
| Molecular Formula | C70 |
4-Fluoro-2-methoxyaniline 98.0+%, TCI America™
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CAS: 450-91-9 Molecular Formula: C7H8FNO Molecular Weight (g/mol): 141.15 MDL Number: MFCD00077536 InChI Key: BNRRMRUVYDETQC-UHFFFAOYSA-N Synonym: 2-methoxy-4-fluoroaniline,2-amino-5-fluoroanisole,4-fluoro-2-methoxybenzenamine,benzenamine, 4-fluoro-2-methoxy,2-amino-5-fluoroanisole 4-fluoro-2-methoxyaniline,4-fluoro-o-anisidine,acmc-1aegy,4-fluoro-2-methoxy-aniline,ksc798g5t,4-fluoro-2-methoxyphenylamine PubChem CID: 13532228 IUPAC Name: 4-fluoro-2-methoxyaniline SMILES: COC1=C(N)C=CC(F)=C1
| PubChem CID | 13532228 |
|---|---|
| CAS | 450-91-9 |
| Molecular Weight (g/mol) | 141.15 |
| MDL Number | MFCD00077536 |
| SMILES | COC1=C(N)C=CC(F)=C1 |
| Synonym | 2-methoxy-4-fluoroaniline,2-amino-5-fluoroanisole,4-fluoro-2-methoxybenzenamine,benzenamine, 4-fluoro-2-methoxy,2-amino-5-fluoroanisole 4-fluoro-2-methoxyaniline,4-fluoro-o-anisidine,acmc-1aegy,4-fluoro-2-methoxy-aniline,ksc798g5t,4-fluoro-2-methoxyphenylamine |
| IUPAC Name | 4-fluoro-2-methoxyaniline |
| InChI Key | BNRRMRUVYDETQC-UHFFFAOYSA-N |
| Molecular Formula | C7H8FNO |
5-Bromo-2-fluorophenol 98.0+%, TCI America™
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CAS: 112204-58-7 Molecular Formula: C6H4BrFO Molecular Weight (g/mol): 190.999 MDL Number: MFCD07782066 InChI Key: YPTHSYKJDRMAJY-UHFFFAOYSA-N Synonym: 2-fluoro-5-bromophenol,phenol, 5-bromo-2-fluoro,2-fluoro-5-bromo phenol,5-bromo-2-fluoro-phenol,3-bromo-6-fluorophenol,3-bromo-6-fluoro-phenol,acmc-2099dd,ksc493i2d PubChem CID: 183421 IUPAC Name: 5-bromo-2-fluorophenol SMILES: C1=CC(=C(C=C1Br)O)F
| PubChem CID | 183421 |
|---|---|
| CAS | 112204-58-7 |
| Molecular Weight (g/mol) | 190.999 |
| MDL Number | MFCD07782066 |
| SMILES | C1=CC(=C(C=C1Br)O)F |
| Synonym | 2-fluoro-5-bromophenol,phenol, 5-bromo-2-fluoro,2-fluoro-5-bromo phenol,5-bromo-2-fluoro-phenol,3-bromo-6-fluorophenol,3-bromo-6-fluoro-phenol,acmc-2099dd,ksc493i2d |
| IUPAC Name | 5-bromo-2-fluorophenol |
| InChI Key | YPTHSYKJDRMAJY-UHFFFAOYSA-N |
| Molecular Formula | C6H4BrFO |
2-Acetamido-5-bromobenzoic Acid 98.0+%, TCI America™
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CAS: 38985-79-4 Molecular Formula: C9H7BrNO3 Molecular Weight (g/mol): 257.06 MDL Number: MFCD00040904 InChI Key: QVABAFHRLMDDLM-UHFFFAOYSA-M PubChem CID: 520935 IUPAC Name: 5-bromo-2-acetamidobenzoate SMILES: CC(=O)NC1=CC=C(Br)C=C1C([O-])=O
| PubChem CID | 520935 |
|---|---|
| CAS | 38985-79-4 |
| Molecular Weight (g/mol) | 257.06 |
| MDL Number | MFCD00040904 |
| SMILES | CC(=O)NC1=CC=C(Br)C=C1C([O-])=O |
| IUPAC Name | 5-bromo-2-acetamidobenzoate |
| InChI Key | QVABAFHRLMDDLM-UHFFFAOYSA-M |
| Molecular Formula | C9H7BrNO3 |