Benzene and substituted derivatives
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1,1-Diphenyl-2-propyn-1-ol 97.0+%, TCI America™
CAS: 3923-52-2 Molecular Formula: C15H12O Molecular Weight (g/mol): 208.26 MDL Number: MFCD00041570 InChI Key: SMCLTAARQYTXLW-UHFFFAOYSA-N Synonym: 1,1-diphenyl-2-propyn-1-ol,diphenylethinylcarbinol,ethynyldiphenylmethanol,1,1-diphenylpropargyl alcohol,diphenylethynylcarbinol,3,3-diphenyl-3-hydroxy-1-propyne,benzenemethanol, .alpha.-ethynyl-.alpha.-phenyl,2-propyn-1-ol, 1,1-diphenyl,benzenemethanol, alpha-ethynyl-alpha-phenyl,benzenemethanol, a-ethynyl-a-phenyl PubChem CID: 92976 IUPAC Name: 1,1-diphenylprop-2-yn-1-ol SMILES: OC(C#C)(C1=CC=CC=C1)C1=CC=CC=C1
| PubChem CID | 92976 |
|---|---|
| CAS | 3923-52-2 |
| Molecular Weight (g/mol) | 208.26 |
| MDL Number | MFCD00041570 |
| SMILES | OC(C#C)(C1=CC=CC=C1)C1=CC=CC=C1 |
| Synonym | 1,1-diphenyl-2-propyn-1-ol,diphenylethinylcarbinol,ethynyldiphenylmethanol,1,1-diphenylpropargyl alcohol,diphenylethynylcarbinol,3,3-diphenyl-3-hydroxy-1-propyne,benzenemethanol, .alpha.-ethynyl-.alpha.-phenyl,2-propyn-1-ol, 1,1-diphenyl,benzenemethanol, alpha-ethynyl-alpha-phenyl,benzenemethanol, a-ethynyl-a-phenyl |
| IUPAC Name | 1,1-diphenylprop-2-yn-1-ol |
| InChI Key | SMCLTAARQYTXLW-UHFFFAOYSA-N |
| Molecular Formula | C15H12O |
Fluazinam 98.0+%, TCI America™
CAS: 79622-59-6 Molecular Formula: C13H4Cl2F6N4O4 Molecular Weight (g/mol): 465.09 MDL Number: MFCD00214168 InChI Key: UZCGKGPEKUCDTF-UHFFFAOYSA-N Synonym: fluazinam,frowncide,shirlan flow,altima,sekoya,mapro,shirlan zeneca,fluazinam iso,unii-0p91pck33q,3-chloro-n-3-chloro-2,6-dinitro-4-trifluoromethyl phenyl-5-trifluoromethyl pyridin-2-amine PubChem CID: 91731 ChEBI: CHEBI:81843 IUPAC Name: 3-chloro-N-[3-chloro-2,6-dinitro-4-(trifluoromethyl)phenyl]-5-(trifluoromethyl)pyridin-2-amine SMILES: [O-][N+](=O)C1=CC(=C(Cl)C(=C1NC1=NC=C(C=C1Cl)C(F)(F)F)[N+]([O-])=O)C(F)(F)F
| PubChem CID | 91731 |
|---|---|
| CAS | 79622-59-6 |
| Molecular Weight (g/mol) | 465.09 |
| ChEBI | CHEBI:81843 |
| MDL Number | MFCD00214168 |
| SMILES | [O-][N+](=O)C1=CC(=C(Cl)C(=C1NC1=NC=C(C=C1Cl)C(F)(F)F)[N+]([O-])=O)C(F)(F)F |
| Synonym | fluazinam,frowncide,shirlan flow,altima,sekoya,mapro,shirlan zeneca,fluazinam iso,unii-0p91pck33q,3-chloro-n-3-chloro-2,6-dinitro-4-trifluoromethyl phenyl-5-trifluoromethyl pyridin-2-amine |
| IUPAC Name | 3-chloro-N-[3-chloro-2,6-dinitro-4-(trifluoromethyl)phenyl]-5-(trifluoromethyl)pyridin-2-amine |
| InChI Key | UZCGKGPEKUCDTF-UHFFFAOYSA-N |
| Molecular Formula | C13H4Cl2F6N4O4 |
1,3-Dichloro-5-iodobenzene 98.0+%, TCI America™
CAS: 3032-81-3 Molecular Formula: C6H3Cl2I Molecular Weight (g/mol): 272.89 MDL Number: MFCD00001047 InChI Key: AATPRMRVLQZEHB-UHFFFAOYSA-N Synonym: 3,5-dichloroiodobenzene,3,5-dichlorophenyl iodide,benzene, 1,3-dichloro-5-iodo,1,3-dichloro-5-iodo-benzene,3,5-dichloro-1-iodobenzene,pubchem3693,acmc-209hev,3,5-dichloro iodobenzene,3,5-dichloro-iodobenzene,3,5-dichloro-iodo-benzene PubChem CID: 76424 IUPAC Name: 1,3-dichloro-5-iodobenzene SMILES: ClC1=CC(I)=CC(Cl)=C1
| PubChem CID | 76424 |
|---|---|
| CAS | 3032-81-3 |
| Molecular Weight (g/mol) | 272.89 |
| MDL Number | MFCD00001047 |
| SMILES | ClC1=CC(I)=CC(Cl)=C1 |
| Synonym | 3,5-dichloroiodobenzene,3,5-dichlorophenyl iodide,benzene, 1,3-dichloro-5-iodo,1,3-dichloro-5-iodo-benzene,3,5-dichloro-1-iodobenzene,pubchem3693,acmc-209hev,3,5-dichloro iodobenzene,3,5-dichloro-iodobenzene,3,5-dichloro-iodo-benzene |
| IUPAC Name | 1,3-dichloro-5-iodobenzene |
| InChI Key | AATPRMRVLQZEHB-UHFFFAOYSA-N |
| Molecular Formula | C6H3Cl2I |
Benzyl Glycidyl Ether 97.0+%, TCI America™
CAS: 2930-05-4 Molecular Formula: C10H12O2 Molecular Weight (g/mol): 164.20 MDL Number: MFCD00068664 InChI Key: QNYBOILAKBSWFG-UHFFFAOYNA-N Synonym: 1-Benzyloxy-2,3-epoxypropane, 2-(Benzyloxymethyl)oxirane PubChem CID: 94247 IUPAC Name: 2-(phenylmethoxymethyl)oxirane SMILES: C1C(O1)COCC2=CC=CC=C2
| PubChem CID | 94247 |
|---|---|
| CAS | 2930-05-4 |
| Molecular Weight (g/mol) | 164.20 |
| MDL Number | MFCD00068664 |
| SMILES | C1C(O1)COCC2=CC=CC=C2 |
| Synonym | 1-Benzyloxy-2,3-epoxypropane, 2-(Benzyloxymethyl)oxirane |
| IUPAC Name | 2-(phenylmethoxymethyl)oxirane |
| InChI Key | QNYBOILAKBSWFG-UHFFFAOYNA-N |
| Molecular Formula | C10H12O2 |
2-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)benzyl Bromide 98.0+%, TCI America™
CAS: 377780-72-8 Molecular Formula: C13H18BBrO2 Molecular Weight (g/mol): 296.999 MDL Number: MFCD01632210 InChI Key: ROIXSNLOYHDYBP-UHFFFAOYSA-N Synonym: 2-2-bromomethyl phenyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane,2-bromomethylphenylboronic acid pinacol ester,2-bromomethyl benzeneboronic acid, pinacol ester,2-bromomethylphenylboronic acid, pinacol ester,2-bromomethyl benzeneboronic acid pinacol ester,2-bromomethylphenyl boronic acid, pinacol ester,amtb373,2-bromomethyl phenylboronic pinacol ester,2-bromoethylphenylboronic acid pinacol ester PubChem CID: 3834834 IUPAC Name: 2-[2-(bromomethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane SMILES: B1(OC(C(O1)(C)C)(C)C)C2=CC=CC=C2CBr
| PubChem CID | 3834834 |
|---|---|
| CAS | 377780-72-8 |
| Molecular Weight (g/mol) | 296.999 |
| MDL Number | MFCD01632210 |
| SMILES | B1(OC(C(O1)(C)C)(C)C)C2=CC=CC=C2CBr |
| Synonym | 2-2-bromomethyl phenyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane,2-bromomethylphenylboronic acid pinacol ester,2-bromomethyl benzeneboronic acid, pinacol ester,2-bromomethylphenylboronic acid, pinacol ester,2-bromomethyl benzeneboronic acid pinacol ester,2-bromomethylphenyl boronic acid, pinacol ester,amtb373,2-bromomethyl phenylboronic pinacol ester,2-bromoethylphenylboronic acid pinacol ester |
| IUPAC Name | 2-[2-(bromomethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane |
| InChI Key | ROIXSNLOYHDYBP-UHFFFAOYSA-N |
| Molecular Formula | C13H18BBrO2 |
Benzyltributylammonium Bromide 98.0+%, TCI America™
CAS: 25316-59-0 Molecular Formula: C19H34BrN Molecular Weight (g/mol): 356.392 MDL Number: MFCD00011848 InChI Key: UDYGXWPMSJPFDG-UHFFFAOYSA-M Synonym: benzyltributylammonium bromide,tributylbenzylammonium bromide,n-benzyl-n,n-dibutylbutan-1-aminium bromide,benzyl tributyl ammonium bromide,benzenemethanaminium, n,n,n-tributyl-, bromide,benzyltri-n-butylammonium bromide,benzyltributylazanium bromide,benzyl-tributyl-azanium,benzyltributylammoniumbromide,pubchem7801 PubChem CID: 2724282 IUPAC Name: benzyl(tributyl)azanium;bromide SMILES: CCCC[N+](CCCC)(CCCC)CC1=CC=CC=C1.[Br-]
| PubChem CID | 2724282 |
|---|---|
| CAS | 25316-59-0 |
| Molecular Weight (g/mol) | 356.392 |
| MDL Number | MFCD00011848 |
| SMILES | CCCC[N+](CCCC)(CCCC)CC1=CC=CC=C1.[Br-] |
| Synonym | benzyltributylammonium bromide,tributylbenzylammonium bromide,n-benzyl-n,n-dibutylbutan-1-aminium bromide,benzyl tributyl ammonium bromide,benzenemethanaminium, n,n,n-tributyl-, bromide,benzyltri-n-butylammonium bromide,benzyltributylazanium bromide,benzyl-tributyl-azanium,benzyltributylammoniumbromide,pubchem7801 |
| IUPAC Name | benzyl(tributyl)azanium;bromide |
| InChI Key | UDYGXWPMSJPFDG-UHFFFAOYSA-M |
| Molecular Formula | C19H34BrN |
1-(2,3,4-Trimethoxybenzyl)piperazine Dihydrochloride 98.0+%, TCI America™
CAS: 13171-25-0 Molecular Formula: C14H24Cl2N2O3 Molecular Weight (g/mol): 339.257 MDL Number: MFCD00243086 InChI Key: VYFLPFGUVGMBEP-UHFFFAOYSA-N Synonym: trimetazidine dihydrochloride,1-2,3,4-trimethoxybenzyl piperazine dihydrochloride,kyurinett,trimetazidine hydrochloride,trimetajust,lubomail,vastarel,yosimilon,1-2,3,4-trimethoxyphenyl methyl piperazine dihydrochloride,trimetazidine 2hcl PubChem CID: 83201 IUPAC Name: 1-[(2,3,4-trimethoxyphenyl)methyl]piperazine;dihydrochloride SMILES: COC1=C(C(=C(C=C1)CN2CCNCC2)OC)OC.Cl.Cl
| PubChem CID | 83201 |
|---|---|
| CAS | 13171-25-0 |
| Molecular Weight (g/mol) | 339.257 |
| MDL Number | MFCD00243086 |
| SMILES | COC1=C(C(=C(C=C1)CN2CCNCC2)OC)OC.Cl.Cl |
| Synonym | trimetazidine dihydrochloride,1-2,3,4-trimethoxybenzyl piperazine dihydrochloride,kyurinett,trimetazidine hydrochloride,trimetajust,lubomail,vastarel,yosimilon,1-2,3,4-trimethoxyphenyl methyl piperazine dihydrochloride,trimetazidine 2hcl |
| IUPAC Name | 1-[(2,3,4-trimethoxyphenyl)methyl]piperazine;dihydrochloride |
| InChI Key | VYFLPFGUVGMBEP-UHFFFAOYSA-N |
| Molecular Formula | C14H24Cl2N2O3 |
Monohexyl Phthalate 98.0+%, TCI America™
CAS: 24539-57-9 Molecular Formula: C14H18O4 Molecular Weight (g/mol): 250.294 MDL Number: MFCD00517703 InChI Key: XOSNGXNHDRYFEF-UHFFFAOYSA-N Synonym: Phthalic Acid Monohexyl Ester PubChem CID: 90532 IUPAC Name: 2-hexoxycarbonylbenzoic acid SMILES: CCCCCCOC(=O)C1=CC=CC=C1C(=O)O
| PubChem CID | 90532 |
|---|---|
| CAS | 24539-57-9 |
| Molecular Weight (g/mol) | 250.294 |
| MDL Number | MFCD00517703 |
| SMILES | CCCCCCOC(=O)C1=CC=CC=C1C(=O)O |
| Synonym | Phthalic Acid Monohexyl Ester |
| IUPAC Name | 2-hexoxycarbonylbenzoic acid |
| InChI Key | XOSNGXNHDRYFEF-UHFFFAOYSA-N |
| Molecular Formula | C14H18O4 |
2-Chloro-6-fluorobenzyl Bromide 98.0+%, TCI America™
CAS: 68220-26-8 Molecular Formula: C7H5BrClF Molecular Weight (g/mol): 223.47 MDL Number: MFCD00040126 InChI Key: IGUVNNXFTDCASP-UHFFFAOYSA-N Synonym: 2-chloro-6-fluorobenzyl bromide,2-bromomethyl-1-chloro-3-fluorobenzene,2-chloro-6-fluorobenzylbromide,2-bromomethyl-1-chloro-3-fluoro-benzene,benzene, 2-bromomethyl-1-chloro-3-fluoro,2-bromomethyl-3-chloro-1-fluorobenzene,alpha-bromo-2-chloro-6-fluorotoluene,pubchem4894,acmc-1bdpq PubChem CID: 2773625 IUPAC Name: 2-(bromomethyl)-1-chloro-3-fluorobenzene SMILES: FC1=CC=CC(Cl)=C1CBr
| PubChem CID | 2773625 |
|---|---|
| CAS | 68220-26-8 |
| Molecular Weight (g/mol) | 223.47 |
| MDL Number | MFCD00040126 |
| SMILES | FC1=CC=CC(Cl)=C1CBr |
| Synonym | 2-chloro-6-fluorobenzyl bromide,2-bromomethyl-1-chloro-3-fluorobenzene,2-chloro-6-fluorobenzylbromide,2-bromomethyl-1-chloro-3-fluoro-benzene,benzene, 2-bromomethyl-1-chloro-3-fluoro,2-bromomethyl-3-chloro-1-fluorobenzene,alpha-bromo-2-chloro-6-fluorotoluene,pubchem4894,acmc-1bdpq |
| IUPAC Name | 2-(bromomethyl)-1-chloro-3-fluorobenzene |
| InChI Key | IGUVNNXFTDCASP-UHFFFAOYSA-N |
| Molecular Formula | C7H5BrClF |
Probucol 98.0+%, TCI America™
CAS: 23288-49-5 Molecular Formula: C31H48O2S2 Molecular Weight (g/mol): 516.843 MDL Number: MFCD00079281 InChI Key: FYPMFJGVHOHGLL-UHFFFAOYSA-N Synonym: probucol,lorelco,biphenabid,bisphenabid,lurselle,bisbid,lesterol,lursell,panavir,probucolum PubChem CID: 4912 ChEBI: CHEBI:8427 IUPAC Name: 2,6-ditert-butyl-4-[2-(3,5-ditert-butyl-4-hydroxyphenyl)sulfanylpropan-2-ylsulfanyl]phenol SMILES: CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)SC(C)(C)SC2=CC(=C(C(=C2)C(C)(C)C)O)C(C)(C)C
| PubChem CID | 4912 |
|---|---|
| CAS | 23288-49-5 |
| Molecular Weight (g/mol) | 516.843 |
| ChEBI | CHEBI:8427 |
| MDL Number | MFCD00079281 |
| SMILES | CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)SC(C)(C)SC2=CC(=C(C(=C2)C(C)(C)C)O)C(C)(C)C |
| Synonym | probucol,lorelco,biphenabid,bisphenabid,lurselle,bisbid,lesterol,lursell,panavir,probucolum |
| IUPAC Name | 2,6-ditert-butyl-4-[2-(3,5-ditert-butyl-4-hydroxyphenyl)sulfanylpropan-2-ylsulfanyl]phenol |
| InChI Key | FYPMFJGVHOHGLL-UHFFFAOYSA-N |
| Molecular Formula | C31H48O2S2 |
Methyl 4-Methoxysalicylate 99.0+%, TCI America™
CAS: 5446-02-6 Molecular Formula: C9H10O4 Molecular Weight (g/mol): 182.18 MDL Number: MFCD00008424 InChI Key: ZICRWXFGZCVTBZ-UHFFFAOYSA-N Synonym: methyl 4-methoxysalicylate,2-hydroxy-4-methoxy-benzoic acid methyl ester,methyl-4-methoxysalicylate,benzoic acid, 2-hydroxy-4-methoxy-, methyl ester,2-hydroxy-4-methoxybenzoic acid methyl ester,4-methoxysalicylic acid methyl ester,acmc-2097hp,methyl 2-hydroxy-p-anisate,ksc494a7p,2-methoxycarbonyl-5-methoxyphenol PubChem CID: 79523 IUPAC Name: methyl 2-hydroxy-4-methoxybenzoate SMILES: COC1=CC(=C(C=C1)C(=O)OC)O
| PubChem CID | 79523 |
|---|---|
| CAS | 5446-02-6 |
| Molecular Weight (g/mol) | 182.18 |
| MDL Number | MFCD00008424 |
| SMILES | COC1=CC(=C(C=C1)C(=O)OC)O |
| Synonym | methyl 4-methoxysalicylate,2-hydroxy-4-methoxy-benzoic acid methyl ester,methyl-4-methoxysalicylate,benzoic acid, 2-hydroxy-4-methoxy-, methyl ester,2-hydroxy-4-methoxybenzoic acid methyl ester,4-methoxysalicylic acid methyl ester,acmc-2097hp,methyl 2-hydroxy-p-anisate,ksc494a7p,2-methoxycarbonyl-5-methoxyphenol |
| IUPAC Name | methyl 2-hydroxy-4-methoxybenzoate |
| InChI Key | ZICRWXFGZCVTBZ-UHFFFAOYSA-N |
| Molecular Formula | C9H10O4 |
Ethyl 4-(Trifluoromethyl)phenylacetate 98.0+%, TCI America™
CAS: 721-63-1 Molecular Formula: C11H11F3O2 Molecular Weight (g/mol): 232.20 MDL Number: MFCD07779351 InChI Key: BDVKGYOFECBKDX-UHFFFAOYSA-N Synonym: ethyl 2-4-trifluoromethyl phenyl acetate,ethyl 4-trifluoromethyl phenylacetate,4-trifluoromethyl benzeneacetic acid ethyl ester,4-trifluoromethyl-phenyl-acetic acid ethyl ester,benzeneacetic acid, 4-trifluoromethyl-, ethyl ester,ethyl4-trifluoromethyl phenylacetate,ethyl 4-trifluoromethylphenylacetate,ethyl 4-trifluoromethyl-phenyl acetate,ethyl 4-trifluoromethyl phenyl acetate PubChem CID: 14134124 IUPAC Name: ethyl 2-[4-(trifluoromethyl)phenyl]acetate SMILES: CCOC(=O)CC1=CC=C(C=C1)C(F)(F)F
| PubChem CID | 14134124 |
|---|---|
| CAS | 721-63-1 |
| Molecular Weight (g/mol) | 232.20 |
| MDL Number | MFCD07779351 |
| SMILES | CCOC(=O)CC1=CC=C(C=C1)C(F)(F)F |
| Synonym | ethyl 2-4-trifluoromethyl phenyl acetate,ethyl 4-trifluoromethyl phenylacetate,4-trifluoromethyl benzeneacetic acid ethyl ester,4-trifluoromethyl-phenyl-acetic acid ethyl ester,benzeneacetic acid, 4-trifluoromethyl-, ethyl ester,ethyl4-trifluoromethyl phenylacetate,ethyl 4-trifluoromethylphenylacetate,ethyl 4-trifluoromethyl-phenyl acetate,ethyl 4-trifluoromethyl phenyl acetate |
| IUPAC Name | ethyl 2-[4-(trifluoromethyl)phenyl]acetate |
| InChI Key | BDVKGYOFECBKDX-UHFFFAOYSA-N |
| Molecular Formula | C11H11F3O2 |
2-(2-Bromophenyl)ethyl Alcohol 98.0+%, TCI America™
CAS: 1074-16-4 Molecular Formula: C8H9BrO Molecular Weight (g/mol): 201.063 MDL Number: MFCD00093566 InChI Key: ADLOWZRDUHSVRU-UHFFFAOYSA-N Synonym: 2-2-bromophenyl ethanol,2-bromophenethyl alcohol,2-bromophenethylalcohol,2-2-bromophenyl ethan-1-ol,benzeneethanol, 2-bromo,o-bromophenethyl alcohol,2-2-bromophenyl ethyl alcohol,2-bromobenzeneethanol,2-bromophenylethanol,pubchem16178 PubChem CID: 2734089 IUPAC Name: 2-(2-bromophenyl)ethanol SMILES: C1=CC=C(C(=C1)CCO)Br
| PubChem CID | 2734089 |
|---|---|
| CAS | 1074-16-4 |
| Molecular Weight (g/mol) | 201.063 |
| MDL Number | MFCD00093566 |
| SMILES | C1=CC=C(C(=C1)CCO)Br |
| Synonym | 2-2-bromophenyl ethanol,2-bromophenethyl alcohol,2-bromophenethylalcohol,2-2-bromophenyl ethan-1-ol,benzeneethanol, 2-bromo,o-bromophenethyl alcohol,2-2-bromophenyl ethyl alcohol,2-bromobenzeneethanol,2-bromophenylethanol,pubchem16178 |
| IUPAC Name | 2-(2-bromophenyl)ethanol |
| InChI Key | ADLOWZRDUHSVRU-UHFFFAOYSA-N |
| Molecular Formula | C8H9BrO |
2-Fluorophenyl Isocyanate 97.0+%, TCI America™
CAS: 16744-98-2 Molecular Formula: C7H4FNO Molecular Weight (g/mol): 137.113 MDL Number: MFCD00001996 InChI Key: VZNCSZQPNIEEMN-UHFFFAOYSA-N Synonym: 2-fluorophenyl isocyanate,o-fluorophenyl isocyanate,2-fluorophenylisocyanate,benzene, 1-fluoro-2-isocyanato,isocyanic acid 2-fluorophenyl ester,2-fluorobenzenisocyanate,paragos 331045,labotest-bb ltbb005297,pubchem4455,2-flurophenylisocyanate PubChem CID: 85588 IUPAC Name: 1-fluoro-2-isocyanatobenzene SMILES: C1=CC=C(C(=C1)N=C=O)F
| PubChem CID | 85588 |
|---|---|
| CAS | 16744-98-2 |
| Molecular Weight (g/mol) | 137.113 |
| MDL Number | MFCD00001996 |
| SMILES | C1=CC=C(C(=C1)N=C=O)F |
| Synonym | 2-fluorophenyl isocyanate,o-fluorophenyl isocyanate,2-fluorophenylisocyanate,benzene, 1-fluoro-2-isocyanato,isocyanic acid 2-fluorophenyl ester,2-fluorobenzenisocyanate,paragos 331045,labotest-bb ltbb005297,pubchem4455,2-flurophenylisocyanate |
| IUPAC Name | 1-fluoro-2-isocyanatobenzene |
| InChI Key | VZNCSZQPNIEEMN-UHFFFAOYSA-N |
| Molecular Formula | C7H4FNO |
N2-(tert-Butoxycarbonyl)-4-fluoro-1,2-phenylenediamine 98.0+%, TCI America™
CAS: 362670-07-3 Molecular Formula: C11H15FN2O2 Molecular Weight (g/mol): 226.25 MDL Number: MFCD07787180 InChI Key: FELBQUPQCJZQQX-UHFFFAOYSA-N Synonym: N2-Boc-4-fluoro-1,2-phenylenediamine, tert-Butyl (2-Amino-5-fluorophenyl)carbamate, (2-Amino-5-fluorophenyl)carbamic Acid tert-Butyl Ester PubChem CID: 53420357 IUPAC Name: tert-butyl N-(2-amino-5-fluorophenyl)carbamate SMILES: CC(C)(C)OC(=O)NC1=C(N)C=CC(F)=C1
| PubChem CID | 53420357 |
|---|---|
| CAS | 362670-07-3 |
| Molecular Weight (g/mol) | 226.25 |
| MDL Number | MFCD07787180 |
| SMILES | CC(C)(C)OC(=O)NC1=C(N)C=CC(F)=C1 |
| Synonym | N2-Boc-4-fluoro-1,2-phenylenediamine, tert-Butyl (2-Amino-5-fluorophenyl)carbamate, (2-Amino-5-fluorophenyl)carbamic Acid tert-Butyl Ester |
| IUPAC Name | tert-butyl N-(2-amino-5-fluorophenyl)carbamate |
| InChI Key | FELBQUPQCJZQQX-UHFFFAOYSA-N |
| Molecular Formula | C11H15FN2O2 |