Benzenoids
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N-Boc-4-bromo-3-fluoroaniline, 96%, Thermo Scientific Chemicals
CAS: 868735-43-7 Molecular Formula: C11H13BrFNO2 Molecular Weight (g/mol): 290.132 MDL Number: MFCD11976284 InChI Key: FQLYUJLJZFATNI-UHFFFAOYSA-N Synonym: tert-butyl 4-bromo-3-fluorophenyl carbamate,tert-butyl n-4-bromo-3-fluorophenyl carbamate,tert-butyl 4-bromo-3-fluorophenylcarbamate,4-bromo-3-fluoro-phenyl-carbamic acid tert-butyl ester,n-boc-4-bromo-3-fluoroaniline PubChem CID: 59852943 IUPAC Name: tert-butyl N-(4-bromo-3-fluorophenyl)carbamate SMILES: CC(C)(C)OC(=O)NC1=CC(=C(C=C1)Br)F
| PubChem CID | 59852943 |
|---|---|
| CAS | 868735-43-7 |
| Molecular Weight (g/mol) | 290.132 |
| MDL Number | MFCD11976284 |
| SMILES | CC(C)(C)OC(=O)NC1=CC(=C(C=C1)Br)F |
| Synonym | tert-butyl 4-bromo-3-fluorophenyl carbamate,tert-butyl n-4-bromo-3-fluorophenyl carbamate,tert-butyl 4-bromo-3-fluorophenylcarbamate,4-bromo-3-fluoro-phenyl-carbamic acid tert-butyl ester,n-boc-4-bromo-3-fluoroaniline |
| IUPAC Name | tert-butyl N-(4-bromo-3-fluorophenyl)carbamate |
| InChI Key | FQLYUJLJZFATNI-UHFFFAOYSA-N |
| Molecular Formula | C11H13BrFNO2 |
4-Methoxycarbonyl-2-nitrobenzeneboronic acid, 97%
CAS: 85107-55-7 Molecular Formula: C8H8BNO6 Molecular Weight (g/mol): 224.963 MDL Number: MFCD01632202 InChI Key: SFEJGHJCGQNFQC-UHFFFAOYSA-N Synonym: 4-methoxycarbonyl-2-nitrophenyl boronic acid,4-methoxycarbonyl-2-nitrophenylboronic acid,4-methoxycarbonyl-2-nitrobenzeneboronic acid,methyl 4-dihydroxyboranyl-3-nitrobenzoate,2-nitro-4-methoxycarbonyl phenylboronic acid,4-methoxycarbonyl-2-nitro-phenyl boronic acid,methyl 4-borono-3-nitrobenzoate,acmc-209q4d PubChem CID: 2773493 IUPAC Name: (4-methoxycarbonyl-2-nitrophenyl)boronic acid SMILES: B(C1=C(C=C(C=C1)C(=O)OC)[N+](=O)[O-])(O)O
| PubChem CID | 2773493 |
|---|---|
| CAS | 85107-55-7 |
| Molecular Weight (g/mol) | 224.963 |
| MDL Number | MFCD01632202 |
| SMILES | B(C1=C(C=C(C=C1)C(=O)OC)[N+](=O)[O-])(O)O |
| Synonym | 4-methoxycarbonyl-2-nitrophenyl boronic acid,4-methoxycarbonyl-2-nitrophenylboronic acid,4-methoxycarbonyl-2-nitrobenzeneboronic acid,methyl 4-dihydroxyboranyl-3-nitrobenzoate,2-nitro-4-methoxycarbonyl phenylboronic acid,4-methoxycarbonyl-2-nitro-phenyl boronic acid,methyl 4-borono-3-nitrobenzoate,acmc-209q4d |
| IUPAC Name | (4-methoxycarbonyl-2-nitrophenyl)boronic acid |
| InChI Key | SFEJGHJCGQNFQC-UHFFFAOYSA-N |
| Molecular Formula | C8H8BNO6 |
(R)-(+)-1-(2-Bromophenyl)ethanol, 98%
CAS: 76116-20-6 Molecular Formula: C8H9BrO Molecular Weight (g/mol): 201.063 MDL Number: MFCD00216591 InChI Key: DZLZSFZSPIUINR-ZCFIWIBFSA-N Synonym: r-1-2-bromophenyl ethanol,1r-1-2-bromophenyl ethanol,1r-1-2-bromophenyl ethan-1-ol,pubchem5686,r-+-1-2-bromophenyl ethanol,r-+-2-bromo-,a-methylbenzyl alcohol,benzenemethanol,2-bromo-a-methyl-, ar,r-+-2-bromo-alpha-methylbenzyl alcohol,r-+-2-bromo-alpha-methylbenzyl alcoh PubChem CID: 2734868 IUPAC Name: (1R)-1-(2-bromophenyl)ethanol SMILES: CC(C1=CC=CC=C1Br)O
| PubChem CID | 2734868 |
|---|---|
| CAS | 76116-20-6 |
| Molecular Weight (g/mol) | 201.063 |
| MDL Number | MFCD00216591 |
| SMILES | CC(C1=CC=CC=C1Br)O |
| Synonym | r-1-2-bromophenyl ethanol,1r-1-2-bromophenyl ethanol,1r-1-2-bromophenyl ethan-1-ol,pubchem5686,r-+-1-2-bromophenyl ethanol,r-+-2-bromo-,a-methylbenzyl alcohol,benzenemethanol,2-bromo-a-methyl-, ar,r-+-2-bromo-alpha-methylbenzyl alcohol,r-+-2-bromo-alpha-methylbenzyl alcoh |
| IUPAC Name | (1R)-1-(2-bromophenyl)ethanol |
| InChI Key | DZLZSFZSPIUINR-ZCFIWIBFSA-N |
| Molecular Formula | C8H9BrO |
4-Amino-3-iodobenzonitrile, 97%
CAS: 33348-34-4 Molecular Formula: C7H5IN2 Molecular Weight (g/mol): 244.035 MDL Number: MFCD04039964 InChI Key: UOWVTQFTEAYDLM-UHFFFAOYSA-N Synonym: 4-cyano-2-iodoaniline,1-amino-2-iodo-4-cyanobenzene,benzonitrile, 4-amino-3-iodo,4-amino-2-iodobenzonitrile 98,4-amino-3-iodobenzenecarbonitrile,2-iodo-4-cyanoaniline,4-cyano-6-iodoaniline,pubchem18486,acmc-20a6lw,3-iodo-4-aminobenzonitrile PubChem CID: 4416395 IUPAC Name: 4-amino-3-iodobenzonitrile SMILES: C1=CC(=C(C=C1C#N)I)N
| PubChem CID | 4416395 |
|---|---|
| CAS | 33348-34-4 |
| Molecular Weight (g/mol) | 244.035 |
| MDL Number | MFCD04039964 |
| SMILES | C1=CC(=C(C=C1C#N)I)N |
| Synonym | 4-cyano-2-iodoaniline,1-amino-2-iodo-4-cyanobenzene,benzonitrile, 4-amino-3-iodo,4-amino-2-iodobenzonitrile 98,4-amino-3-iodobenzenecarbonitrile,2-iodo-4-cyanoaniline,4-cyano-6-iodoaniline,pubchem18486,acmc-20a6lw,3-iodo-4-aminobenzonitrile |
| IUPAC Name | 4-amino-3-iodobenzonitrile |
| InChI Key | UOWVTQFTEAYDLM-UHFFFAOYSA-N |
| Molecular Formula | C7H5IN2 |
N-[3,5-Bis(trifluoromethyl)phenyl]thiourea, 98+%
CAS: 175277-17-5 Molecular Formula: C9H6F6N2S Molecular Weight (g/mol): 288.211 MDL Number: MFCD00041172 InChI Key: CWRWOECVPKDZIC-UHFFFAOYSA-N Synonym: 1-3,5-bis trifluoromethyl phenyl-2-thiourea,1-3,5-bis trifluoromethyl phenyl thiourea,3,5-bis trifluoromethyl phenylthiourea,3,5-bis trifluoromethyl phenyl thiourea,n-3,5-di trifluoromethyl phenyl thiourea,n-3,5-bis trifluoromethyl phenyl thiourea,thiourea,n-3,5-bis trifluoromethyl phenyl,amino 3,5-bis trifluoromethyl phenyl amino methane-1-thione,maybridge1_008805 PubChem CID: 2736183 IUPAC Name: [3,5-bis(trifluoromethyl)phenyl]thiourea SMILES: C1=C(C=C(C=C1C(F)(F)F)NC(=S)N)C(F)(F)F
| PubChem CID | 2736183 |
|---|---|
| CAS | 175277-17-5 |
| Molecular Weight (g/mol) | 288.211 |
| MDL Number | MFCD00041172 |
| SMILES | C1=C(C=C(C=C1C(F)(F)F)NC(=S)N)C(F)(F)F |
| Synonym | 1-3,5-bis trifluoromethyl phenyl-2-thiourea,1-3,5-bis trifluoromethyl phenyl thiourea,3,5-bis trifluoromethyl phenylthiourea,3,5-bis trifluoromethyl phenyl thiourea,n-3,5-di trifluoromethyl phenyl thiourea,n-3,5-bis trifluoromethyl phenyl thiourea,thiourea,n-3,5-bis trifluoromethyl phenyl,amino 3,5-bis trifluoromethyl phenyl amino methane-1-thione,maybridge1_008805 |
| IUPAC Name | [3,5-bis(trifluoromethyl)phenyl]thiourea |
| InChI Key | CWRWOECVPKDZIC-UHFFFAOYSA-N |
| Molecular Formula | C9H6F6N2S |
2,3,4,5,6-Pentafluorobenzeneboronic acid, 97%
CAS: 1582-24-7 Molecular Formula: C6H2BF5O2 Molecular Weight (g/mol): 211.88 MDL Number: MFCD01074663 InChI Key: VASOMTXTRMYSKD-UHFFFAOYSA-N Synonym: 2,3,4,5,6-pentafluorobenzeneboronic acid,pentafluorophenylboronic acid,perfluorophenylboronic acid,pentafluorobenzeneboronic acid,boronic acid, pentafluorophenyl,pentafluorophenyl boronic acid,2,3,4,5,6-pentafluorophenyl boronic acid,boronic acid, b-2,3,4,5,6-pentafluorophenyl,pubchem22760,rarechem ah pb 0049 PubChem CID: 2775922 IUPAC Name: (2,3,4,5,6-pentafluorophenyl)boronic acid SMILES: OB(O)C1=C(F)C(F)=C(F)C(F)=C1F
| PubChem CID | 2775922 |
|---|---|
| CAS | 1582-24-7 |
| Molecular Weight (g/mol) | 211.88 |
| MDL Number | MFCD01074663 |
| SMILES | OB(O)C1=C(F)C(F)=C(F)C(F)=C1F |
| Synonym | 2,3,4,5,6-pentafluorobenzeneboronic acid,pentafluorophenylboronic acid,perfluorophenylboronic acid,pentafluorobenzeneboronic acid,boronic acid, pentafluorophenyl,pentafluorophenyl boronic acid,2,3,4,5,6-pentafluorophenyl boronic acid,boronic acid, b-2,3,4,5,6-pentafluorophenyl,pubchem22760,rarechem ah pb 0049 |
| IUPAC Name | (2,3,4,5,6-pentafluorophenyl)boronic acid |
| InChI Key | VASOMTXTRMYSKD-UHFFFAOYSA-N |
| Molecular Formula | C6H2BF5O2 |
1-Iodo-2,4-dinitrobenzene, 98%
CAS: 709-49-9 Molecular Formula: C6H3IN2O4 Molecular Weight (g/mol): 294.004 MDL Number: MFCD00039738 InChI Key: FXMKXMJLXRTQSW-UHFFFAOYSA-N Synonym: 2,4-dinitroiodobenzene,benzene, 1-iodo-2,4-dinitro,unii-not697x2xm,ccris 7907,4-iodo-1,3-dintrobenzene,6-iodo-1,3-dintrobenzene,2,4-dinitro-1-iodobenzene,not697x2xm,1-iodo-2,4-dinitro-benzene,1-iod-2,4-dinitrobenzol PubChem CID: 69730 ChEBI: CHEBI:59000 IUPAC Name: 1-iodo-2,4-dinitrobenzene SMILES: C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])I
| PubChem CID | 69730 |
|---|---|
| CAS | 709-49-9 |
| Molecular Weight (g/mol) | 294.004 |
| ChEBI | CHEBI:59000 |
| MDL Number | MFCD00039738 |
| SMILES | C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])I |
| Synonym | 2,4-dinitroiodobenzene,benzene, 1-iodo-2,4-dinitro,unii-not697x2xm,ccris 7907,4-iodo-1,3-dintrobenzene,6-iodo-1,3-dintrobenzene,2,4-dinitro-1-iodobenzene,not697x2xm,1-iodo-2,4-dinitro-benzene,1-iod-2,4-dinitrobenzol |
| IUPAC Name | 1-iodo-2,4-dinitrobenzene |
| InChI Key | FXMKXMJLXRTQSW-UHFFFAOYSA-N |
| Molecular Formula | C6H3IN2O4 |
4-Bromo-2-chloro-1-iodobenzene, 97%
CAS: 31928-47-9 Molecular Formula: C6H3BrClI Molecular Weight (g/mol): 317.348 MDL Number: MFCD00079709 InChI Key: OHHKQBZOURGNLR-UHFFFAOYSA-N Synonym: 4-bromo-2-chloroiodobenzene,1-bromo-3-chloro-4-iodobenzene,benzene, 4-bromo-2-chloro-1-iodo,buttpark 34\07-78,4-bromo-2-chloro-1-iodo-benzene,pubchem3592,acmc-1cp6y,3-chloro-4-iodobromobenzene,ksc493m0p,4-bromo-2-chloro-iodobenzene PubChem CID: 2735547 IUPAC Name: 4-bromo-2-chloro-1-iodobenzene SMILES: C1=CC(=C(C=C1Br)Cl)I
| PubChem CID | 2735547 |
|---|---|
| CAS | 31928-47-9 |
| Molecular Weight (g/mol) | 317.348 |
| MDL Number | MFCD00079709 |
| SMILES | C1=CC(=C(C=C1Br)Cl)I |
| Synonym | 4-bromo-2-chloroiodobenzene,1-bromo-3-chloro-4-iodobenzene,benzene, 4-bromo-2-chloro-1-iodo,buttpark 34\07-78,4-bromo-2-chloro-1-iodo-benzene,pubchem3592,acmc-1cp6y,3-chloro-4-iodobromobenzene,ksc493m0p,4-bromo-2-chloro-iodobenzene |
| IUPAC Name | 4-bromo-2-chloro-1-iodobenzene |
| InChI Key | OHHKQBZOURGNLR-UHFFFAOYSA-N |
| Molecular Formula | C6H3BrClI |
1-Bromo-2-fluoro-5-(trifluoromethoxy)benzene, 98%
CAS: 286932-57-8 Molecular Formula: C7H3BrF4O Molecular Weight (g/mol): 258.998 MDL Number: MFCD02181186 InChI Key: VVVFPEJORKPEST-UHFFFAOYSA-N Synonym: 2-bromo-1-fluoro-4-trifluoromethoxy benzene,1-bromo-2-fluoro-5-trifluoromethoxy benzene,3-bromo-4-fluoro trifluoromethoxy benzene,3-bromo-4-fluorotrifluoroanisole,2-fluoro-5-trifluoromethoxy-bromobenzene,3-bromo-4-fluorophenyl trifluoromethyl ether,3-bromo-4-fluoro-alpha,alpha,alpha-trifluoroanisole,3-bromo-4-fluorotrifluoromethoxybenzene,pubchem12363,acmc-1cocq PubChem CID: 25067359 IUPAC Name: 2-bromo-1-fluoro-4-(trifluoromethoxy)benzene SMILES: C1=CC(=C(C=C1OC(F)(F)F)Br)F
| PubChem CID | 25067359 |
|---|---|
| CAS | 286932-57-8 |
| Molecular Weight (g/mol) | 258.998 |
| MDL Number | MFCD02181186 |
| SMILES | C1=CC(=C(C=C1OC(F)(F)F)Br)F |
| Synonym | 2-bromo-1-fluoro-4-trifluoromethoxy benzene,1-bromo-2-fluoro-5-trifluoromethoxy benzene,3-bromo-4-fluoro trifluoromethoxy benzene,3-bromo-4-fluorotrifluoroanisole,2-fluoro-5-trifluoromethoxy-bromobenzene,3-bromo-4-fluorophenyl trifluoromethyl ether,3-bromo-4-fluoro-alpha,alpha,alpha-trifluoroanisole,3-bromo-4-fluorotrifluoromethoxybenzene,pubchem12363,acmc-1cocq |
| IUPAC Name | 2-bromo-1-fluoro-4-(trifluoromethoxy)benzene |
| InChI Key | VVVFPEJORKPEST-UHFFFAOYSA-N |
| Molecular Formula | C7H3BrF4O |
4-Aminobenzophenone, 98%
CAS: 1137-41-3 Molecular Formula: C13H11NO Molecular Weight (g/mol): 197.24 MDL Number: MFCD00007895 InChI Key: RBKHNGHPZZZJCI-UHFFFAOYSA-N Synonym: 4-aminobenzophenone,4-aminophenyl phenyl methanone,4-benzoylaniline,p-aminobenzophenone,methanone, 4-aminophenyl phenyl,benzophenone, 4-amino,p-benzoylaniline,usaf a-233,4-aminophenyl-phenylmethanone,4-aminophenyl-phenyl-methanone PubChem CID: 14346 IUPAC Name: (4-aminophenyl)-phenylmethanone SMILES: NC1=CC=C(C=C1)C(=O)C1=CC=CC=C1
| PubChem CID | 14346 |
|---|---|
| CAS | 1137-41-3 |
| Molecular Weight (g/mol) | 197.24 |
| MDL Number | MFCD00007895 |
| SMILES | NC1=CC=C(C=C1)C(=O)C1=CC=CC=C1 |
| Synonym | 4-aminobenzophenone,4-aminophenyl phenyl methanone,4-benzoylaniline,p-aminobenzophenone,methanone, 4-aminophenyl phenyl,benzophenone, 4-amino,p-benzoylaniline,usaf a-233,4-aminophenyl-phenylmethanone,4-aminophenyl-phenyl-methanone |
| IUPAC Name | (4-aminophenyl)-phenylmethanone |
| InChI Key | RBKHNGHPZZZJCI-UHFFFAOYSA-N |
| Molecular Formula | C13H11NO |
2,4-Dibromo-6-fluoroaniline, 97%, Thermo Scientific Chemicals
CAS: 141474-37-5 Molecular Formula: C6H4Br2FN Molecular Weight (g/mol): 268.91 MDL Number: MFCD00042230 InChI Key: YJLXEKFYZIBUPJ-UHFFFAOYSA-N Synonym: benzenamine, 2,4-dibromo-6-fluoro,2,4-dibromo-6-fluorobenzenamine,2,4-dibromo-6-fluoro-phenylamine,2,4-dibromo-6-fluoro aniline,pubchem3442,intermediates-zcf02078,ksc494o1h,2,4-dibromo-6-fluoro-aniline,acmc-1c814,4,6-dibromo-2-fluorophenylamine PubChem CID: 2736765 IUPAC Name: 2,4-dibromo-6-fluoroaniline SMILES: NC1=C(F)C=C(Br)C=C1Br
| PubChem CID | 2736765 |
|---|---|
| CAS | 141474-37-5 |
| Molecular Weight (g/mol) | 268.91 |
| MDL Number | MFCD00042230 |
| SMILES | NC1=C(F)C=C(Br)C=C1Br |
| Synonym | benzenamine, 2,4-dibromo-6-fluoro,2,4-dibromo-6-fluorobenzenamine,2,4-dibromo-6-fluoro-phenylamine,2,4-dibromo-6-fluoro aniline,pubchem3442,intermediates-zcf02078,ksc494o1h,2,4-dibromo-6-fluoro-aniline,acmc-1c814,4,6-dibromo-2-fluorophenylamine |
| IUPAC Name | 2,4-dibromo-6-fluoroaniline |
| InChI Key | YJLXEKFYZIBUPJ-UHFFFAOYSA-N |
| Molecular Formula | C6H4Br2FN |
Flufenamic Acid, Spectrum™ Chemical
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CAS: 530-78-9
| CAS | 530-78-9 |
|---|
Heptyl 4-Hydroxybenzoate, Spectrum™ Chemical
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CAS: 1085-12-7 Molecular Formula: C14H20O3 Molecular Weight (g/mol): 236.31 InChI Key: ZTJORNVITHUQJA-UHFFFAOYSA-N IUPAC Name: heptyl 4-hydroxybenzoate SMILES: CCCCCCCOC(=O)C1=CC=C(O)C=C1
| CAS | 1085-12-7 |
|---|---|
| Molecular Weight (g/mol) | 236.31 |
| SMILES | CCCCCCCOC(=O)C1=CC=C(O)C=C1 |
| IUPAC Name | heptyl 4-hydroxybenzoate |
| InChI Key | ZTJORNVITHUQJA-UHFFFAOYSA-N |
| Molecular Formula | C14H20O3 |
4-Benzylphenol, Spectrum™ Chemical
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CAS: 101-53-1 Molecular Formula: C13H12O Molecular Weight (g/mol): 184.24 InChI Key: HJSPWKGEPDZNLK-UHFFFAOYSA-N IUPAC Name: 4-benzylphenol SMILES: OC1=CC=C(CC2=CC=CC=C2)C=C1
| CAS | 101-53-1 |
|---|---|
| Molecular Weight (g/mol) | 184.24 |
| SMILES | OC1=CC=C(CC2=CC=CC=C2)C=C1 |
| IUPAC Name | 4-benzylphenol |
| InChI Key | HJSPWKGEPDZNLK-UHFFFAOYSA-N |
| Molecular Formula | C13H12O |
Fluconazole, Research Grade, Spectrum™ Chemical
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CAS: 86386-73-4
| CAS | 86386-73-4 |
|---|