Benzenoids
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4-(2-furyl)benzaldehyde, Thermo Scientific™
CAS: 60456-77-1 Molecular Formula: C11H8O2 Molecular Weight (g/mol): 172.183 InChI Key: WBUXKMOCVYRVES-UHFFFAOYSA-N Synonym: 4-2-furyl benzaldehyde,4-furan-2-yl benzaldehyde,4-furan-2-yl-benzaldehyde,benzaldehyde,4-2-furanyl,2-4-formylphenyl furan,4-2-furanyl benzaldehyde PubChem CID: 2772295 IUPAC Name: 4-(furan-2-yl)benzaldehyde SMILES: C1=COC(=C1)C2=CC=C(C=C2)C=O
| PubChem CID | 2772295 |
|---|---|
| CAS | 60456-77-1 |
| Molecular Weight (g/mol) | 172.183 |
| SMILES | C1=COC(=C1)C2=CC=C(C=C2)C=O |
| Synonym | 4-2-furyl benzaldehyde,4-furan-2-yl benzaldehyde,4-furan-2-yl-benzaldehyde,benzaldehyde,4-2-furanyl,2-4-formylphenyl furan,4-2-furanyl benzaldehyde |
| IUPAC Name | 4-(furan-2-yl)benzaldehyde |
| InChI Key | WBUXKMOCVYRVES-UHFFFAOYSA-N |
| Molecular Formula | C11H8O2 |
[2-(2-Furyl)phenyl]methylamine, ≥97%, Thermo Scientific™
CAS: 771573-25-2 Molecular Formula: C11H11NO Molecular Weight (g/mol): 173.215 MDL Number: MFCD06213664 InChI Key: KUTREPQQCILHIM-UHFFFAOYSA-N Synonym: 2-2-furyl phenyl methylamine,2-furan-2-yl phenyl methanamine,1-2-furan-2-yl phenyl methanamine,2-furan-2-yl-benzylamine PubChem CID: 18525791 IUPAC Name: [2-(furan-2-yl)phenyl]methanamine SMILES: C1=CC=C(C(=C1)CN)C2=CC=CO2
| PubChem CID | 18525791 |
|---|---|
| CAS | 771573-25-2 |
| Molecular Weight (g/mol) | 173.215 |
| MDL Number | MFCD06213664 |
| SMILES | C1=CC=C(C(=C1)CN)C2=CC=CO2 |
| Synonym | 2-2-furyl phenyl methylamine,2-furan-2-yl phenyl methanamine,1-2-furan-2-yl phenyl methanamine,2-furan-2-yl-benzylamine |
| IUPAC Name | [2-(furan-2-yl)phenyl]methanamine |
| InChI Key | KUTREPQQCILHIM-UHFFFAOYSA-N |
| Molecular Formula | C11H11NO |
3,4-Dichlorobenzyl bromide, 98%
CAS: 18880-04-1 Molecular Formula: C7H5BrCl2 Molecular Weight (g/mol): 239.921 MDL Number: MFCD00041363 InChI Key: XLWSBDFQAJXCQX-UHFFFAOYSA-N Synonym: 3,4-dichlorobenzyl bromide,4-bromomethyl-1,2-dichlorobenzene,benzene, 4-bromomethyl-1,2-dichloro,3,4-dichlorobenzylbromide,alpha-bromo-3,4-dichlorotoluene,acmc-209erq,3,4 dichlorobenzyl bromide,3,4-dichloro-benzyl bromide,ksc493a6b,timtec-bb sbb005763 PubChem CID: 639726 IUPAC Name: 4-(bromomethyl)-1,2-dichlorobenzene SMILES: C1=CC(=C(C=C1CBr)Cl)Cl
| PubChem CID | 639726 |
|---|---|
| CAS | 18880-04-1 |
| Molecular Weight (g/mol) | 239.921 |
| MDL Number | MFCD00041363 |
| SMILES | C1=CC(=C(C=C1CBr)Cl)Cl |
| Synonym | 3,4-dichlorobenzyl bromide,4-bromomethyl-1,2-dichlorobenzene,benzene, 4-bromomethyl-1,2-dichloro,3,4-dichlorobenzylbromide,alpha-bromo-3,4-dichlorotoluene,acmc-209erq,3,4 dichlorobenzyl bromide,3,4-dichloro-benzyl bromide,ksc493a6b,timtec-bb sbb005763 |
| IUPAC Name | 4-(bromomethyl)-1,2-dichlorobenzene |
| InChI Key | XLWSBDFQAJXCQX-UHFFFAOYSA-N |
| Molecular Formula | C7H5BrCl2 |
5-(4-Bromophenyl)isoxazole, 98%, Thermo Scientific Chemicals
CAS: 7064-31-5 Molecular Formula: C9H6BrNO Molecular Weight (g/mol): 224.057 MDL Number: MFCD02183532 InChI Key: AVMMSHZGFRWLRI-UHFFFAOYSA-N Synonym: 5-4-bromophenyl isoxazole,5-4-bromophenyl-1,2-oxazole,acmc-209ofh PubChem CID: 2735608 IUPAC Name: 5-(4-bromophenyl)-1,2-oxazole SMILES: C1=CC(=CC=C1C2=CC=NO2)Br
| PubChem CID | 2735608 |
|---|---|
| CAS | 7064-31-5 |
| Molecular Weight (g/mol) | 224.057 |
| MDL Number | MFCD02183532 |
| SMILES | C1=CC(=CC=C1C2=CC=NO2)Br |
| Synonym | 5-4-bromophenyl isoxazole,5-4-bromophenyl-1,2-oxazole,acmc-209ofh |
| IUPAC Name | 5-(4-bromophenyl)-1,2-oxazole |
| InChI Key | AVMMSHZGFRWLRI-UHFFFAOYSA-N |
| Molecular Formula | C9H6BrNO |
4-Methyl-2-nitroaniline, 98+%
CAS: 89-62-3 Molecular Formula: C7H8N2O2 Molecular Weight (g/mol): 152.15 MDL Number: MFCD00007907 InChI Key: DLURHXYXQYMPLT-UHFFFAOYSA-N Synonym: 2-nitro-p-toluidine,4-amino-3-nitrotoluene,3-nitro-4-toluidine,fast red gl,3-nitro-4-aminotoluene,fast red gl base,benzenamine, 4-methyl-2-nitro,2-nitro-4-methylaniline,4-methyl-6-nitroaniline,mnpt PubChem CID: 6978 ChEBI: CHEBI:66920 IUPAC Name: 4-methyl-2-nitroaniline SMILES: CC1=CC=C(N)C(=C1)[N+]([O-])=O
| PubChem CID | 6978 |
|---|---|
| CAS | 89-62-3 |
| Molecular Weight (g/mol) | 152.15 |
| ChEBI | CHEBI:66920 |
| MDL Number | MFCD00007907 |
| SMILES | CC1=CC=C(N)C(=C1)[N+]([O-])=O |
| Synonym | 2-nitro-p-toluidine,4-amino-3-nitrotoluene,3-nitro-4-toluidine,fast red gl,3-nitro-4-aminotoluene,fast red gl base,benzenamine, 4-methyl-2-nitro,2-nitro-4-methylaniline,4-methyl-6-nitroaniline,mnpt |
| IUPAC Name | 4-methyl-2-nitroaniline |
| InChI Key | DLURHXYXQYMPLT-UHFFFAOYSA-N |
| Molecular Formula | C7H8N2O2 |
1-Iodo-4-isopropylbenzene, 97%
CAS: 17356-09-1 Molecular Formula: C9H11I Molecular Weight (g/mol): 246.091 MDL Number: MFCD00013711 InChI Key: PQJOSEVTIKYWLH-UHFFFAOYSA-N Synonym: 1-iodo-4-isopropylbenzene,p-iodocumene,4-iodoisopropylbenzene,2-4'-iodophenyl propane,4-iodocumene,p-iodoisopropylbenzene,1-iodo-4-propan-2-yl benzene,4-isopropyliodobenzene,benzene,1-iodo-4-1-methylethyl,benzene, 1-iodo-4-1-methylethyl PubChem CID: 87073 IUPAC Name: 1-iodo-4-propan-2-ylbenzene SMILES: CC(C)C1=CC=C(C=C1)I
| PubChem CID | 87073 |
|---|---|
| CAS | 17356-09-1 |
| Molecular Weight (g/mol) | 246.091 |
| MDL Number | MFCD00013711 |
| SMILES | CC(C)C1=CC=C(C=C1)I |
| Synonym | 1-iodo-4-isopropylbenzene,p-iodocumene,4-iodoisopropylbenzene,2-4'-iodophenyl propane,4-iodocumene,p-iodoisopropylbenzene,1-iodo-4-propan-2-yl benzene,4-isopropyliodobenzene,benzene,1-iodo-4-1-methylethyl,benzene, 1-iodo-4-1-methylethyl |
| IUPAC Name | 1-iodo-4-propan-2-ylbenzene |
| InChI Key | PQJOSEVTIKYWLH-UHFFFAOYSA-N |
| Molecular Formula | C9H11I |
N-Fmoc-3,3-diphenyl-L-alanine, 95%
CAS: 201484-50-6 Molecular Formula: C30H25NO4 Molecular Weight (g/mol): 463.533 MDL Number: MFCD00672337 InChI Key: PENQOTJCVODUQU-NDEPHWFRSA-N Synonym: fmoc-l-3,3-diphenylalanine,s-2-9h-fluoren-9-yl methoxy carbonyl amino-3,3-diphenylpropanoic acid,fmoc-3,3-diphenyl-l-alanine,fmoc-beta-phenyl-phe-oh,2s-2-9h-fluoren-9-ylmethoxycarbonylamino-3,3-diphenyl-propanoic acid,2s-2-9h-fluoren-9-ylmethoxy carbonyl amino-3,3-diphenylpropanoic acid,fmoc-3,3-diphenyl-d-alaine,fmoc-3,3-diphenyl-l-alaine,fmoc-,-diphenyl-ala-oh,fmoc-ala 3,3-diphenyl-oh PubChem CID: 2761488 IUPAC Name: (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3,3-diphenylpropanoic acid SMILES: C1=CC=C(C=C1)C(C2=CC=CC=C2)C(C(=O)O)NC(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35
| PubChem CID | 2761488 |
|---|---|
| CAS | 201484-50-6 |
| Molecular Weight (g/mol) | 463.533 |
| MDL Number | MFCD00672337 |
| SMILES | C1=CC=C(C=C1)C(C2=CC=CC=C2)C(C(=O)O)NC(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35 |
| Synonym | fmoc-l-3,3-diphenylalanine,s-2-9h-fluoren-9-yl methoxy carbonyl amino-3,3-diphenylpropanoic acid,fmoc-3,3-diphenyl-l-alanine,fmoc-beta-phenyl-phe-oh,2s-2-9h-fluoren-9-ylmethoxycarbonylamino-3,3-diphenyl-propanoic acid,2s-2-9h-fluoren-9-ylmethoxy carbonyl amino-3,3-diphenylpropanoic acid,fmoc-3,3-diphenyl-d-alaine,fmoc-3,3-diphenyl-l-alaine,fmoc-,-diphenyl-ala-oh,fmoc-ala 3,3-diphenyl-oh |
| IUPAC Name | (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3,3-diphenylpropanoic acid |
| InChI Key | PENQOTJCVODUQU-NDEPHWFRSA-N |
| Molecular Formula | C30H25NO4 |
3-(2-Methyl-thiazol-4-yl)-benzaldehyde, 97%, Thermo Scientific™
CAS: 850375-05-2 Molecular Formula: C11H9NOS Molecular Weight (g/mol): 203.26 MDL Number: MFCD02681946 InChI Key: FQQPVEKQPGDYPD-UHFFFAOYSA-N PubChem CID: 7127782 IUPAC Name: 3-(2-methyl-1,3-thiazol-4-yl)benzaldehyde SMILES: CC1=NC(=CS1)C1=CC(C=O)=CC=C1
| PubChem CID | 7127782 |
|---|---|
| CAS | 850375-05-2 |
| Molecular Weight (g/mol) | 203.26 |
| MDL Number | MFCD02681946 |
| SMILES | CC1=NC(=CS1)C1=CC(C=O)=CC=C1 |
| IUPAC Name | 3-(2-methyl-1,3-thiazol-4-yl)benzaldehyde |
| InChI Key | FQQPVEKQPGDYPD-UHFFFAOYSA-N |
| Molecular Formula | C11H9NOS |
4-Amino-3-methoxybenzoic acid, 95%
CAS: 2486-69-3 Molecular Formula: C8H9NO3 Molecular Weight (g/mol): 167.164 MDL Number: MFCD00016539 InChI Key: JNFGLYJROFAOQP-UHFFFAOYSA-N Synonym: 4-amino-3-methoxy-benzoic acid,3-methoxy-4-aminobenzoic acid,4-amino-m-anisic acid,benzoic acid, 4-amino-3-methoxy,o-anisidine-4-carboxylic acid,4-amino-3-methoxy benzoic acid,timtec-bb sbb008622,4-amino-3-methoxybenzoic,4-amino-3-methoxybenzoic acid,4-amino-3-methoxybenzoicacid PubChem CID: 288057 IUPAC Name: 4-amino-3-methoxybenzoic acid SMILES: COC1=C(C=CC(=C1)C(=O)O)N
| PubChem CID | 288057 |
|---|---|
| CAS | 2486-69-3 |
| Molecular Weight (g/mol) | 167.164 |
| MDL Number | MFCD00016539 |
| SMILES | COC1=C(C=CC(=C1)C(=O)O)N |
| Synonym | 4-amino-3-methoxy-benzoic acid,3-methoxy-4-aminobenzoic acid,4-amino-m-anisic acid,benzoic acid, 4-amino-3-methoxy,o-anisidine-4-carboxylic acid,4-amino-3-methoxy benzoic acid,timtec-bb sbb008622,4-amino-3-methoxybenzoic,4-amino-3-methoxybenzoic acid,4-amino-3-methoxybenzoicacid |
| IUPAC Name | 4-amino-3-methoxybenzoic acid |
| InChI Key | JNFGLYJROFAOQP-UHFFFAOYSA-N |
| Molecular Formula | C8H9NO3 |
Furosemide, USP, 98-102%, Spectrum™ Chemical
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CAS: 54-31-9 Molecular Formula: C12H11ClN2O5S Molecular Weight (g/mol): 330.74 InChI Key: ZZUFCTLCJUWOSV-UHFFFAOYSA-N IUPAC Name: 4-chloro-2-{[(furan-2-yl)methyl]amino}-5-sulfamoylbenzoic acid SMILES: NS(=O)(=O)C1=CC(C(O)=O)=C(NCC2=CC=CO2)C=C1Cl
| CAS | 54-31-9 |
|---|---|
| Molecular Weight (g/mol) | 330.74 |
| SMILES | NS(=O)(=O)C1=CC(C(O)=O)=C(NCC2=CC=CO2)C=C1Cl |
| IUPAC Name | 4-chloro-2-{[(furan-2-yl)methyl]amino}-5-sulfamoylbenzoic acid |
| InChI Key | ZZUFCTLCJUWOSV-UHFFFAOYSA-N |
| Molecular Formula | C12H11ClN2O5S |
4-Methoxybenzyl alcohol, 98%
CAS: 105-13-5 Molecular Formula: C8H10O2 Molecular Weight (g/mol): 138.17 MDL Number: MFCD00004653 InChI Key: MSHFRERJPWKJFX-UHFFFAOYSA-N Synonym: 4-methoxybenzyl alcohol,4-methoxyphenyl methanol,anise alcohol,anisyl alcohol,p-anisyl alcohol,p-methoxybenzyl alcohol,benzenemethanol, 4-methoxy,anisic alcohol,p-anisol alcohol,4-methoxybenzenemethanol PubChem CID: 7738 ChEBI: CHEBI:86918 IUPAC Name: (4-methoxyphenyl)methanol SMILES: COC1=CC=C(CO)C=C1
| PubChem CID | 7738 |
|---|---|
| CAS | 105-13-5 |
| Molecular Weight (g/mol) | 138.17 |
| ChEBI | CHEBI:86918 |
| MDL Number | MFCD00004653 |
| SMILES | COC1=CC=C(CO)C=C1 |
| Synonym | 4-methoxybenzyl alcohol,4-methoxyphenyl methanol,anise alcohol,anisyl alcohol,p-anisyl alcohol,p-methoxybenzyl alcohol,benzenemethanol, 4-methoxy,anisic alcohol,p-anisol alcohol,4-methoxybenzenemethanol |
| IUPAC Name | (4-methoxyphenyl)methanol |
| InChI Key | MSHFRERJPWKJFX-UHFFFAOYSA-N |
| Molecular Formula | C8H10O2 |
4-Bromoaniline, 99+%
CAS: 106-40-1 Molecular Formula: C6H6BrN Molecular Weight (g/mol): 172.02 InChI Key: WDFQBORIUYODSI-UHFFFAOYSA-N Synonym: p-bromoaniline,4-bromobenzenamine,benzenamine, 4-bromo,p-bromophenylamine,aniline, p-bromo,4-bromo-aniline,4-bromobenzeneamine,p-bromo aniline,4-bromanilinu,4-bromo-phenylamine PubChem CID: 7807 IUPAC Name: 4-bromoaniline SMILES: C1=CC(=CC=C1N)Br
| PubChem CID | 7807 |
|---|---|
| CAS | 106-40-1 |
| Molecular Weight (g/mol) | 172.02 |
| SMILES | C1=CC(=CC=C1N)Br |
| Synonym | p-bromoaniline,4-bromobenzenamine,benzenamine, 4-bromo,p-bromophenylamine,aniline, p-bromo,4-bromo-aniline,4-bromobenzeneamine,p-bromo aniline,4-bromanilinu,4-bromo-phenylamine |
| IUPAC Name | 4-bromoaniline |
| InChI Key | WDFQBORIUYODSI-UHFFFAOYSA-N |
| Molecular Formula | C6H6BrN |
4-Fluorobenzyl isocyanate, 98%
CAS: 132740-43-3 Molecular Formula: C8H6FNO Molecular Weight (g/mol): 151.14 MDL Number: MFCD00673062 InChI Key: HHSIWJYERNCLKQ-UHFFFAOYSA-N Synonym: 4-fluorobenzyl isocyanate,1-fluoro-4-isocyanatomethyl benzene,4-fluorobenzylisocyanate,4-fluorophenyl methanisocyanate,4-fluorobezylisocyanate,acmc-1c0to,intermediates-zcf02017,4-fluoro benzyl isocyanate,4-fluorophenyl methyl isocyanate PubChem CID: 2733376 IUPAC Name: 1-fluoro-4-(isocyanatomethyl)benzene SMILES: FC1=CC=C(CN=C=O)C=C1
| PubChem CID | 2733376 |
|---|---|
| CAS | 132740-43-3 |
| Molecular Weight (g/mol) | 151.14 |
| MDL Number | MFCD00673062 |
| SMILES | FC1=CC=C(CN=C=O)C=C1 |
| Synonym | 4-fluorobenzyl isocyanate,1-fluoro-4-isocyanatomethyl benzene,4-fluorobenzylisocyanate,4-fluorophenyl methanisocyanate,4-fluorobezylisocyanate,acmc-1c0to,intermediates-zcf02017,4-fluoro benzyl isocyanate,4-fluorophenyl methyl isocyanate |
| IUPAC Name | 1-fluoro-4-(isocyanatomethyl)benzene |
| InChI Key | HHSIWJYERNCLKQ-UHFFFAOYSA-N |
| Molecular Formula | C8H6FNO |
3-Methoxybenzenesulfonamide, 97%, Thermo Scientific Chemicals
CAS: 58734-57-9 Molecular Formula: C7H9NO3S Molecular Weight (g/mol): 187.21 MDL Number: MFCD08704579 InChI Key: VBKIEQKVSHDVGH-UHFFFAOYSA-N PubChem CID: 14763060 IUPAC Name: 3-methoxybenzenesulfonamide SMILES: COC1=CC(=CC=C1)S(N)(=O)=O
| PubChem CID | 14763060 |
|---|---|
| CAS | 58734-57-9 |
| Molecular Weight (g/mol) | 187.21 |
| MDL Number | MFCD08704579 |
| SMILES | COC1=CC(=CC=C1)S(N)(=O)=O |
| IUPAC Name | 3-methoxybenzenesulfonamide |
| InChI Key | VBKIEQKVSHDVGH-UHFFFAOYSA-N |
| Molecular Formula | C7H9NO3S |
Ethyl mesitylglyoxylate, 97%
CAS: 5524-57-2 Molecular Formula: C13H16O3 Molecular Weight (g/mol): 220.268 MDL Number: MFCD00151821 InChI Key: XRSPPFOBPRPYLD-UHFFFAOYSA-N Synonym: ethyl mesitylglyoxylate,ethyl 2-mesityl-2-oxoacetate,ethyl 2-oxo-2-2,4,6-trimethylphenyl acetate,acmc-1asq7,mesitylglyoxylic acid ethyl ester,ethyl 2,4,6-trimethylphenyl glyoxylate,alpha-oxo-2,4,6-trimethylbenzeneacetic acid ethyl ester PubChem CID: 2736481 IUPAC Name: ethyl 2-oxo-2-(2,4,6-trimethylphenyl)acetate SMILES: CCOC(=O)C(=O)C1=C(C=C(C=C1C)C)C
| PubChem CID | 2736481 |
|---|---|
| CAS | 5524-57-2 |
| Molecular Weight (g/mol) | 220.268 |
| MDL Number | MFCD00151821 |
| SMILES | CCOC(=O)C(=O)C1=C(C=C(C=C1C)C)C |
| Synonym | ethyl mesitylglyoxylate,ethyl 2-mesityl-2-oxoacetate,ethyl 2-oxo-2-2,4,6-trimethylphenyl acetate,acmc-1asq7,mesitylglyoxylic acid ethyl ester,ethyl 2,4,6-trimethylphenyl glyoxylate,alpha-oxo-2,4,6-trimethylbenzeneacetic acid ethyl ester |
| IUPAC Name | ethyl 2-oxo-2-(2,4,6-trimethylphenyl)acetate |
| InChI Key | XRSPPFOBPRPYLD-UHFFFAOYSA-N |
| Molecular Formula | C13H16O3 |