Benzenoids
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Tamsulosin Hydrochloride 98.0+%, TCI America™
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CAS: 106463-17-6 Molecular Formula: C20H29ClN2O5S Molecular Weight (g/mol): 444.971 MDL Number: MFCD00922997 InChI Key: ZZIZZTHXZRDOFM-XFULWGLBSA-N Synonym: tamsulosin hydrochloride,omnic,tamsulosin hcl,pradif,flomax,urolosin,secotex,josir,alna,omic PubChem CID: 5362376 ChEBI: CHEBI:9399 IUPAC Name: 5-[(2R)-2-[2-(2-ethoxyphenoxy)ethylamino]propyl]-2-methoxybenzenesulfonamide;hydrochloride SMILES: CCOC1=CC=CC=C1OCCNC(C)CC2=CC(=C(C=C2)OC)S(=O)(=O)N.Cl
| PubChem CID | 5362376 |
|---|---|
| CAS | 106463-17-6 |
| Molecular Weight (g/mol) | 444.971 |
| ChEBI | CHEBI:9399 |
| MDL Number | MFCD00922997 |
| SMILES | CCOC1=CC=CC=C1OCCNC(C)CC2=CC(=C(C=C2)OC)S(=O)(=O)N.Cl |
| Synonym | tamsulosin hydrochloride,omnic,tamsulosin hcl,pradif,flomax,urolosin,secotex,josir,alna,omic |
| IUPAC Name | 5-[(2R)-2-[2-(2-ethoxyphenoxy)ethylamino]propyl]-2-methoxybenzenesulfonamide;hydrochloride |
| InChI Key | ZZIZZTHXZRDOFM-XFULWGLBSA-N |
| Molecular Formula | C20H29ClN2O5S |
4-Hydroxy-3-nitrophenylacetic Acid 98.0+%, TCI America™
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CAS: 10463-20-4 Molecular Formula: C8H7NO5 Molecular Weight (g/mol): 197.146 MDL Number: MFCD00007122 InChI Key: QBHBHOSRLDPIHG-UHFFFAOYSA-N Synonym: 4-hydroxy-3-nitrophenylacetic acid,2-4-hydroxy-3-nitrophenyl acetic acid,4-hydroxy-3-nitrophenyl acetic acid,3-nitro-4-hydroxyphenylacetic acid,3-nitro-4-hydroxy phenylacetic acid,benzeneacetic acid, 4-hydroxy-3-nitro,no2hpa,hydroxynitrophenylaceticacid,acmc-2098cj,epitope id:158629 PubChem CID: 447364 ChEBI: CHEBI:546274 SMILES: C1=CC(=C(C=C1CC(=O)O)[N+](=O)[O-])O
| PubChem CID | 447364 |
|---|---|
| CAS | 10463-20-4 |
| Molecular Weight (g/mol) | 197.146 |
| ChEBI | CHEBI:546274 |
| MDL Number | MFCD00007122 |
| SMILES | C1=CC(=C(C=C1CC(=O)O)[N+](=O)[O-])O |
| Synonym | 4-hydroxy-3-nitrophenylacetic acid,2-4-hydroxy-3-nitrophenyl acetic acid,4-hydroxy-3-nitrophenyl acetic acid,3-nitro-4-hydroxyphenylacetic acid,3-nitro-4-hydroxy phenylacetic acid,benzeneacetic acid, 4-hydroxy-3-nitro,no2hpa,hydroxynitrophenylaceticacid,acmc-2098cj,epitope id:158629 |
| InChI Key | QBHBHOSRLDPIHG-UHFFFAOYSA-N |
| Molecular Formula | C8H7NO5 |
4-tert-Butyl-2,6-dimethylphenylsulfur Trifluoride 90.0+%, TCI America™
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CAS: 947725-04-4 Molecular Formula: C12H17F3S Molecular Weight (g/mol): 250.323 MDL Number: MFCD11858620 InChI Key: VRTQPEYVMHATOA-UHFFFAOYSA-N Synonym: FLUOLEAD(TM) PubChem CID: 44184700 IUPAC Name: (4-tert-butyl-2,6-dimethylphenyl)-trifluoro-$l^{4}-sulfane SMILES: CC1=CC(=CC(=C1S(F)(F)F)C)C(C)(C)C
| PubChem CID | 44184700 |
|---|---|
| CAS | 947725-04-4 |
| Molecular Weight (g/mol) | 250.323 |
| MDL Number | MFCD11858620 |
| SMILES | CC1=CC(=CC(=C1S(F)(F)F)C)C(C)(C)C |
| Synonym | FLUOLEAD(TM) |
| IUPAC Name | (4-tert-butyl-2,6-dimethylphenyl)-trifluoro-$l^{4}-sulfane |
| InChI Key | VRTQPEYVMHATOA-UHFFFAOYSA-N |
| Molecular Formula | C12H17F3S |
2,4-Dimethoxybenzoic Acid 99.0+%, TCI America™
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CAS: 91-52-1 Molecular Formula: C9H10O4 Molecular Weight (g/mol): 182.175 MDL Number: MFCD00002434 InChI Key: GPVDHNVGGIAOQT-UHFFFAOYSA-N Synonym: benzoic acid, 2,4-dimethoxy,2,4-dimethoxybenzoicacid,2,4-dimethoxy benzoic acid,2,4-dimethoxybenzoic,pubchem4949,rarechem al bo 0028,2,4-dimethoxy-benzoicaci,2,4 dimethoxybenzoic acid,2.4-dimethoxybenzoic acid,dimethoxybenzoic-2,4 acid PubChem CID: 7052 IUPAC Name: 2,4-dimethoxybenzoic acid SMILES: COC1=CC(=C(C=C1)C(=O)O)OC
| PubChem CID | 7052 |
|---|---|
| CAS | 91-52-1 |
| Molecular Weight (g/mol) | 182.175 |
| MDL Number | MFCD00002434 |
| SMILES | COC1=CC(=C(C=C1)C(=O)O)OC |
| Synonym | benzoic acid, 2,4-dimethoxy,2,4-dimethoxybenzoicacid,2,4-dimethoxy benzoic acid,2,4-dimethoxybenzoic,pubchem4949,rarechem al bo 0028,2,4-dimethoxy-benzoicaci,2,4 dimethoxybenzoic acid,2.4-dimethoxybenzoic acid,dimethoxybenzoic-2,4 acid |
| IUPAC Name | 2,4-dimethoxybenzoic acid |
| InChI Key | GPVDHNVGGIAOQT-UHFFFAOYSA-N |
| Molecular Formula | C9H10O4 |
Benzyl (S)-(+)-Glycidyl Ether 98.0+%, TCI America™
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CAS: 16495-13-9 Molecular Formula: C10H12O2 Molecular Weight (g/mol): 164.20 MDL Number: MFCD00054428 InChI Key: QNYBOILAKBSWFG-SNVBAGLBSA-N Synonym: s-+-benzyl glycidyl ether,s-benzyloxymethyl-oxirane,benzyl s-+-glycidyl ether,s-2-benzyloxy methyl oxirane,2s-2-benzyloxy methyl oxirane,s-o-benzylglycidol,s-benzyl glycidyl ether,+-benzyl glycidyl ether,s-benzyloxymethyl oxirane PubChem CID: 146296 IUPAC Name: (2S)-2-[(benzyloxy)methyl]oxirane SMILES: C(OCC1=CC=CC=C1)[C@@H]1CO1
| PubChem CID | 146296 |
|---|---|
| CAS | 16495-13-9 |
| Molecular Weight (g/mol) | 164.20 |
| MDL Number | MFCD00054428 |
| SMILES | C(OCC1=CC=CC=C1)[C@@H]1CO1 |
| Synonym | s-+-benzyl glycidyl ether,s-benzyloxymethyl-oxirane,benzyl s-+-glycidyl ether,s-2-benzyloxy methyl oxirane,2s-2-benzyloxy methyl oxirane,s-o-benzylglycidol,s-benzyl glycidyl ether,+-benzyl glycidyl ether,s-benzyloxymethyl oxirane |
| IUPAC Name | (2S)-2-[(benzyloxy)methyl]oxirane |
| InChI Key | QNYBOILAKBSWFG-SNVBAGLBSA-N |
| Molecular Formula | C10H12O2 |
2-Chloro-4-methoxybenzoic Acid 98.0+%, TCI America™
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CAS: 21971-21-1 Molecular Formula: C8H7ClO3 Molecular Weight (g/mol): 186.591 MDL Number: MFCD00085943 InChI Key: IBANGHTVBPZCHF-UHFFFAOYSA-N Synonym: 2-chloro-4-methoxy-benzoic acid,2-chloro-4-methyloxy benzoic acid,benzoic acid, 2-chloro-4-methoxy,2-chloro-4-methoxybenzoicacid,2-chloranissaure,pubchem14030,2-chloro-p-anisic acid,ksc494q0b,4-methoxy-2-chloro-benzoic acid PubChem CID: 12648026 IUPAC Name: 2-chloro-4-methoxybenzoic acid SMILES: COC1=CC(=C(C=C1)C(=O)O)Cl
| PubChem CID | 12648026 |
|---|---|
| CAS | 21971-21-1 |
| Molecular Weight (g/mol) | 186.591 |
| MDL Number | MFCD00085943 |
| SMILES | COC1=CC(=C(C=C1)C(=O)O)Cl |
| Synonym | 2-chloro-4-methoxy-benzoic acid,2-chloro-4-methyloxy benzoic acid,benzoic acid, 2-chloro-4-methoxy,2-chloro-4-methoxybenzoicacid,2-chloranissaure,pubchem14030,2-chloro-p-anisic acid,ksc494q0b,4-methoxy-2-chloro-benzoic acid |
| IUPAC Name | 2-chloro-4-methoxybenzoic acid |
| InChI Key | IBANGHTVBPZCHF-UHFFFAOYSA-N |
| Molecular Formula | C8H7ClO3 |
2,7-Dibromotriphenylene 98.0+%, TCI America™
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CAS: 888041-37-0 Molecular Formula: C18H10Br2 Molecular Weight (g/mol): 386.086 MDL Number: MFCD22571695 InChI Key: BPGPBYGXGRDFQG-UHFFFAOYSA-N PubChem CID: 16122224 IUPAC Name: 2,7-dibromotriphenylene SMILES: C1=CC=C2C(=C1)C3=C(C=CC(=C3)Br)C4=C2C=C(C=C4)Br
| PubChem CID | 16122224 |
|---|---|
| CAS | 888041-37-0 |
| Molecular Weight (g/mol) | 386.086 |
| MDL Number | MFCD22571695 |
| SMILES | C1=CC=C2C(=C1)C3=C(C=CC(=C3)Br)C4=C2C=C(C=C4)Br |
| IUPAC Name | 2,7-dibromotriphenylene |
| InChI Key | BPGPBYGXGRDFQG-UHFFFAOYSA-N |
| Molecular Formula | C18H10Br2 |
4-Amino-2,3,5,6-tetrafluorobenzamide 98.0+%, TCI America™
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CAS: 1548-74-9 Molecular Formula: C7H4F4N2O Molecular Weight (g/mol): 208.116 MDL Number: MFCD00008000 InChI Key: CAERPAFTLPIDJT-UHFFFAOYSA-N PubChem CID: 73769 IUPAC Name: 4-amino-2,3,5,6-tetrafluorobenzamide SMILES: C1(=C(C(=C(C(=C1F)F)N)F)F)C(=O)N
| PubChem CID | 73769 |
|---|---|
| CAS | 1548-74-9 |
| Molecular Weight (g/mol) | 208.116 |
| MDL Number | MFCD00008000 |
| SMILES | C1(=C(C(=C(C(=C1F)F)N)F)F)C(=O)N |
| IUPAC Name | 4-amino-2,3,5,6-tetrafluorobenzamide |
| InChI Key | CAERPAFTLPIDJT-UHFFFAOYSA-N |
| Molecular Formula | C7H4F4N2O |
Methyl Vanillate 98.0+%, TCI America™
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CAS: 3943-74-6 Molecular Formula: C9H10O4 Molecular Weight (g/mol): 182.175 MDL Number: MFCD00008438 InChI Key: BVWTXUYLKBHMOX-UHFFFAOYSA-N Synonym: methyl vanillate,methyl 3-methoxy-4-hydroxybenzoate,vanillic acid, methyl ester,4-hydroxy-3-methoxybenzoic acid methyl ester,methylvanillate,benzoic acid, 4-hydroxy-3-methoxy-, methyl ester,vanillic acid methyl ester,unii-2hxg8qso3d,2hxg8qso3d,vxx PubChem CID: 19844 ChEBI: CHEBI:46477 IUPAC Name: methyl 4-hydroxy-3-methoxybenzoate SMILES: COC1=C(C=CC(=C1)C(=O)OC)O
| PubChem CID | 19844 |
|---|---|
| CAS | 3943-74-6 |
| Molecular Weight (g/mol) | 182.175 |
| ChEBI | CHEBI:46477 |
| MDL Number | MFCD00008438 |
| SMILES | COC1=C(C=CC(=C1)C(=O)OC)O |
| Synonym | methyl vanillate,methyl 3-methoxy-4-hydroxybenzoate,vanillic acid, methyl ester,4-hydroxy-3-methoxybenzoic acid methyl ester,methylvanillate,benzoic acid, 4-hydroxy-3-methoxy-, methyl ester,vanillic acid methyl ester,unii-2hxg8qso3d,2hxg8qso3d,vxx |
| IUPAC Name | methyl 4-hydroxy-3-methoxybenzoate |
| InChI Key | BVWTXUYLKBHMOX-UHFFFAOYSA-N |
| Molecular Formula | C9H10O4 |
1-Acetyl-4-(4-hydroxyphenyl)piperazine 98.0+%, TCI America™
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CAS: 67914-60-7 Molecular Formula: C12H16N2O2 Molecular Weight (g/mol): 220.27 MDL Number: MFCD00044905 InChI Key: AGVNLFCRZULMKK-UHFFFAOYSA-N Synonym: 1-acetyl-4-4-hydroxyphenyl piperazine,4-1-acetylpiperazin-4-yl phenol,1-4-4-hydroxyphenyl piperazin-1-yl ethanone,n-acetyl-4-4-hydroxyphenyl piperazine,4-4-acetyl-1-piperazinyl phenol,piperazine, 1-acetyl-4-4-hydroxyphenyl,4-4-acetylpiperazin-4-yl phenol,1-4-4-hydroxyphenyl piperazin-1-yl ethan-1-one,1-acetyl-4-4-hydroxylphenyl piperazine PubChem CID: 712441 IUPAC Name: 1-[4-(4-hydroxyphenyl)piperazin-1-yl]ethan-1-one SMILES: CC(=O)N1CCN(CC1)C1=CC=C(O)C=C1
| PubChem CID | 712441 |
|---|---|
| CAS | 67914-60-7 |
| Molecular Weight (g/mol) | 220.27 |
| MDL Number | MFCD00044905 |
| SMILES | CC(=O)N1CCN(CC1)C1=CC=C(O)C=C1 |
| Synonym | 1-acetyl-4-4-hydroxyphenyl piperazine,4-1-acetylpiperazin-4-yl phenol,1-4-4-hydroxyphenyl piperazin-1-yl ethanone,n-acetyl-4-4-hydroxyphenyl piperazine,4-4-acetyl-1-piperazinyl phenol,piperazine, 1-acetyl-4-4-hydroxyphenyl,4-4-acetylpiperazin-4-yl phenol,1-4-4-hydroxyphenyl piperazin-1-yl ethan-1-one,1-acetyl-4-4-hydroxylphenyl piperazine |
| IUPAC Name | 1-[4-(4-hydroxyphenyl)piperazin-1-yl]ethan-1-one |
| InChI Key | AGVNLFCRZULMKK-UHFFFAOYSA-N |
| Molecular Formula | C12H16N2O2 |
9,9-Bis(4-hydroxyphenyl)fluorene (purified by sublimation) 98.0+%, TCI America™
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CAS: 3236-71-3 Molecular Formula: C25H18O2 Molecular Weight (g/mol): 350.42 MDL Number: MFCD00191392 InChI Key: YWFPGFJLYRKYJZ-UHFFFAOYSA-N PubChem CID: 76716 IUPAC Name: 4-[9-(4-hydroxyphenyl)-9H-fluoren-9-yl]phenol SMILES: OC1=CC=C(C=C1)C1(C2=CC=CC=C2C2=CC=CC=C12)C1=CC=C(O)C=C1
| PubChem CID | 76716 |
|---|---|
| CAS | 3236-71-3 |
| Molecular Weight (g/mol) | 350.42 |
| MDL Number | MFCD00191392 |
| SMILES | OC1=CC=C(C=C1)C1(C2=CC=CC=C2C2=CC=CC=C12)C1=CC=C(O)C=C1 |
| IUPAC Name | 4-[9-(4-hydroxyphenyl)-9H-fluoren-9-yl]phenol |
| InChI Key | YWFPGFJLYRKYJZ-UHFFFAOYSA-N |
| Molecular Formula | C25H18O2 |
4-Allylpyrocatechol 98.0+%, TCI America™
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CAS: 1126-61-0 Molecular Formula: C9H10O2 Molecular Weight (g/mol): 150.177 MDL Number: MFCD01548379 InChI Key: FHEHIXJLCWUPCZ-UHFFFAOYSA-N Synonym: 4-Allyl-1,2-benzenediol, 4-Allyl-1,2-dihydroxybenzene, 4-Allylcatechol, Hydroxychavicol PubChem CID: 70775 IUPAC Name: 4-prop-2-enylbenzene-1,2-diol SMILES: C=CCC1=CC(=C(C=C1)O)O
| PubChem CID | 70775 |
|---|---|
| CAS | 1126-61-0 |
| Molecular Weight (g/mol) | 150.177 |
| MDL Number | MFCD01548379 |
| SMILES | C=CCC1=CC(=C(C=C1)O)O |
| Synonym | 4-Allyl-1,2-benzenediol, 4-Allyl-1,2-dihydroxybenzene, 4-Allylcatechol, Hydroxychavicol |
| IUPAC Name | 4-prop-2-enylbenzene-1,2-diol |
| InChI Key | FHEHIXJLCWUPCZ-UHFFFAOYSA-N |
| Molecular Formula | C9H10O2 |
2-Chlorobenzotrifluoride 98.0+%, TCI America™
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CAS: 88-16-4 Molecular Formula: C7H4ClF3 Molecular Weight (g/mol): 180.554 MDL Number: MFCD00000561 InChI Key: DGRVQOKCSKDWIH-UHFFFAOYSA-N Synonym: 2-chlorobenzotrifluoride,1-chloro-2-trifluoromethyl benzene,o-chlorobenzotrifluoride,chlorobenzotrifluoride,benzene, 1-chloro-2-trifluoromethyl,2-chloro trifluoromethyl benzene,2-chloro-alpha,alpha,alpha-trifluorotoluene,2-chloro-benzotrifluoride,o-trifluoromethyl chlorobenzene,o-trifluoromethyl phenyl chloride PubChem CID: 6921 IUPAC Name: 1-chloro-2-(trifluoromethyl)benzene SMILES: C1=CC=C(C(=C1)C(F)(F)F)Cl
| PubChem CID | 6921 |
|---|---|
| CAS | 88-16-4 |
| Molecular Weight (g/mol) | 180.554 |
| MDL Number | MFCD00000561 |
| SMILES | C1=CC=C(C(=C1)C(F)(F)F)Cl |
| Synonym | 2-chlorobenzotrifluoride,1-chloro-2-trifluoromethyl benzene,o-chlorobenzotrifluoride,chlorobenzotrifluoride,benzene, 1-chloro-2-trifluoromethyl,2-chloro trifluoromethyl benzene,2-chloro-alpha,alpha,alpha-trifluorotoluene,2-chloro-benzotrifluoride,o-trifluoromethyl chlorobenzene,o-trifluoromethyl phenyl chloride |
| IUPAC Name | 1-chloro-2-(trifluoromethyl)benzene |
| InChI Key | DGRVQOKCSKDWIH-UHFFFAOYSA-N |
| Molecular Formula | C7H4ClF3 |
Benzenesulfohydroxamic Acid 98.0+%, TCI America™
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CAS: 599-71-3 Molecular Formula: C6H7NO3S Molecular Weight (g/mol): 173.186 MDL Number: MFCD00025013 InChI Key: BRMDATNYMUMZLN-UHFFFAOYSA-N Synonym: piloty's acid,benzenesulfohydroxamic acid,benzenesulfonamide, n-hydroxy,benzenesulphonohydroxamic acid,benzsulfohydroxamic acid,hydroxamic acid, benzsulfo,n-phenylsulfonyl hydroxylamine,hydroxylamine, n-phenylsulfonyl,unii-c64l4umh19,n-hydroxy-benzenesulfonamide PubChem CID: 69033 IUPAC Name: N-hydroxybenzenesulfonamide SMILES: C1=CC=C(C=C1)S(=O)(=O)NO
| PubChem CID | 69033 |
|---|---|
| CAS | 599-71-3 |
| Molecular Weight (g/mol) | 173.186 |
| MDL Number | MFCD00025013 |
| SMILES | C1=CC=C(C=C1)S(=O)(=O)NO |
| Synonym | piloty's acid,benzenesulfohydroxamic acid,benzenesulfonamide, n-hydroxy,benzenesulphonohydroxamic acid,benzsulfohydroxamic acid,hydroxamic acid, benzsulfo,n-phenylsulfonyl hydroxylamine,hydroxylamine, n-phenylsulfonyl,unii-c64l4umh19,n-hydroxy-benzenesulfonamide |
| IUPAC Name | N-hydroxybenzenesulfonamide |
| InChI Key | BRMDATNYMUMZLN-UHFFFAOYSA-N |
| Molecular Formula | C6H7NO3S |
9,9-Bis(3,4-dihydroxyphenyl)fluorene 98.0+%, TCI America™
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CAS: 351521-78-3 Molecular Formula: C25H18O4 Molecular Weight (g/mol): 382.42 MDL Number: MFCD31618097 InChI Key: RAIOQXXWEGZKAI-UHFFFAOYSA-N Synonym: 4,4′-(9H-Fluorene-9,9-diyl)bis(benzene-1,2-diol) PubChem CID: 24778256 IUPAC Name: 4-[9-(3,4-dihydroxyphenyl)-9H-fluoren-9-yl]benzene-1,2-diol SMILES: OC1=C(O)C=C(C=C1)C1(C2=CC=CC=C2C2=CC=CC=C12)C1=CC(O)=C(O)C=C1
| PubChem CID | 24778256 |
|---|---|
| CAS | 351521-78-3 |
| Molecular Weight (g/mol) | 382.42 |
| MDL Number | MFCD31618097 |
| SMILES | OC1=C(O)C=C(C=C1)C1(C2=CC=CC=C2C2=CC=CC=C12)C1=CC(O)=C(O)C=C1 |
| Synonym | 4,4′-(9H-Fluorene-9,9-diyl)bis(benzene-1,2-diol) |
| IUPAC Name | 4-[9-(3,4-dihydroxyphenyl)-9H-fluoren-9-yl]benzene-1,2-diol |
| InChI Key | RAIOQXXWEGZKAI-UHFFFAOYSA-N |
| Molecular Formula | C25H18O4 |