Organoheterocyclic compounds
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3-Phenyl-9H-carbazole 98.0+%, TCI America™
CAS: 103012-26-6 Molecular Formula: C18H13N Molecular Weight (g/mol): 243.309 MDL Number: MFCD22052094 InChI Key: IAWRFMPNMXEJCK-UHFFFAOYSA-N PubChem CID: 13497473 IUPAC Name: 3-phenyl-9H-carbazole SMILES: C1=CC=C(C=C1)C2=CC3=C(C=C2)NC4=CC=CC=C43
| PubChem CID | 13497473 |
|---|---|
| CAS | 103012-26-6 |
| Molecular Weight (g/mol) | 243.309 |
| MDL Number | MFCD22052094 |
| SMILES | C1=CC=C(C=C1)C2=CC3=C(C=C2)NC4=CC=CC=C43 |
| IUPAC Name | 3-phenyl-9H-carbazole |
| InChI Key | IAWRFMPNMXEJCK-UHFFFAOYSA-N |
| Molecular Formula | C18H13N |
3,3'-Methylenediindole 98.0+%, TCI America™
CAS: 1968-05-4 Molecular Formula: C17H14N2 Molecular Weight (g/mol): 246.31 MDL Number: MFCD00195766 InChI Key: VFTRKSBEFQDZKX-UHFFFAOYSA-N Synonym: 3,3'-diindolylmethane,di 1h-indol-3-yl methane,diindolylmethane,3,3'-methylenediindole,3,3'-methylenebis-1h-indole,1h-indole, 3,3'-methylenebis,dim,3-diindolyl methane,arundine,3,3'-methylenebis 1h-indole PubChem CID: 3071 ChEBI: CHEBI:50182 IUPAC Name: 3-(1H-indol-3-ylmethyl)-1H-indole SMILES: C1=CC=C2C(=C1)C(=CN2)CC3=CNC4=CC=CC=C43
| PubChem CID | 3071 |
|---|---|
| CAS | 1968-05-4 |
| Molecular Weight (g/mol) | 246.31 |
| ChEBI | CHEBI:50182 |
| MDL Number | MFCD00195766 |
| SMILES | C1=CC=C2C(=C1)C(=CN2)CC3=CNC4=CC=CC=C43 |
| Synonym | 3,3'-diindolylmethane,di 1h-indol-3-yl methane,diindolylmethane,3,3'-methylenediindole,3,3'-methylenebis-1h-indole,1h-indole, 3,3'-methylenebis,dim,3-diindolyl methane,arundine,3,3'-methylenebis 1h-indole |
| IUPAC Name | 3-(1H-indol-3-ylmethyl)-1H-indole |
| InChI Key | VFTRKSBEFQDZKX-UHFFFAOYSA-N |
| Molecular Formula | C17H14N2 |
9-(1-Naphthyl)carbazole 98.0+%, TCI America™
CAS: 22034-43-1 Molecular Formula: C22H15N Molecular Weight (g/mol): 293.37 MDL Number: MFCD26127424 InChI Key: QSOAYCUFEQGHDN-UHFFFAOYSA-N PubChem CID: 626218 IUPAC Name: 9-(naphthalen-1-yl)-9H-carbazole SMILES: C1=CC2=C(C=C1)C1=C(C=CC=C1)N2C1=CC=CC2=CC=CC=C12
| PubChem CID | 626218 |
|---|---|
| CAS | 22034-43-1 |
| Molecular Weight (g/mol) | 293.37 |
| MDL Number | MFCD26127424 |
| SMILES | C1=CC2=C(C=C1)C1=C(C=CC=C1)N2C1=CC=CC2=CC=CC=C12 |
| IUPAC Name | 9-(naphthalen-1-yl)-9H-carbazole |
| InChI Key | QSOAYCUFEQGHDN-UHFFFAOYSA-N |
| Molecular Formula | C22H15N |
5-Nitroindazole 98.0+%, TCI America™
CAS: 5401-94-5 Molecular Formula: C7H5N3O2 Molecular Weight (g/mol): 163.136 MDL Number: MFCD00005693 InChI Key: WSGURAYTCUVDQL-UHFFFAOYSA-N Synonym: 5-nitroindazole,1h-indazole, 5-nitro,unii-235y7p37zd,ccris 4134,2h-indazole, 5-nitro,5ni,5-nitroindazol,5-nitro indazole,5-nitro-indazole,5-nitro-1h-indazol PubChem CID: 21501 IUPAC Name: 5-nitro-1H-indazole SMILES: C1=CC2=C(C=C1[N+](=O)[O-])C=NN2
| PubChem CID | 21501 |
|---|---|
| CAS | 5401-94-5 |
| Molecular Weight (g/mol) | 163.136 |
| MDL Number | MFCD00005693 |
| SMILES | C1=CC2=C(C=C1[N+](=O)[O-])C=NN2 |
| Synonym | 5-nitroindazole,1h-indazole, 5-nitro,unii-235y7p37zd,ccris 4134,2h-indazole, 5-nitro,5ni,5-nitroindazol,5-nitro indazole,5-nitro-indazole,5-nitro-1h-indazol |
| IUPAC Name | 5-nitro-1H-indazole |
| InChI Key | WSGURAYTCUVDQL-UHFFFAOYSA-N |
| Molecular Formula | C7H5N3O2 |
1-Benzyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole 98.0+%, TCI America™
CAS: 761446-45-1 Molecular Formula: C16H21BN2O2 Molecular Weight (g/mol): 284.166 MDL Number: MFCD03789252 InChI Key: ZVPORPUUZXIPEF-UHFFFAOYSA-N Synonym: 1-benzyl-1h-pyrazole-4-boronic acid pinacol ester,1-phenylmethyl-4-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl-1h-pyrazole,1-benzyl-4-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl-1h-pyrazole,1-benzylpyrazole-4-boronic acid pinacol ester,1-benzyl-4-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl pyrazole,1-benzyl-4-1h-pyrazoleboronic acid, pinacol ester,1-benzyl-1h-pyrazole-4-boronic acid, pinacol ester,1-benzyl-1h-pyrazol-4-ylboronic acid, pinacol ester,1-benzyl-4-pyrazoleboronic acid pinacol ester,1-benzyl-4-tetramethyl-1,3,2-dioxaborolan-2-yl pyrazole PubChem CID: 2734771 IUPAC Name: 1-benzyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole SMILES: B1(OC(C(O1)(C)C)(C)C)C2=CN(N=C2)CC3=CC=CC=C3
| PubChem CID | 2734771 |
|---|---|
| CAS | 761446-45-1 |
| Molecular Weight (g/mol) | 284.166 |
| MDL Number | MFCD03789252 |
| SMILES | B1(OC(C(O1)(C)C)(C)C)C2=CN(N=C2)CC3=CC=CC=C3 |
| Synonym | 1-benzyl-1h-pyrazole-4-boronic acid pinacol ester,1-phenylmethyl-4-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl-1h-pyrazole,1-benzyl-4-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl-1h-pyrazole,1-benzylpyrazole-4-boronic acid pinacol ester,1-benzyl-4-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl pyrazole,1-benzyl-4-1h-pyrazoleboronic acid, pinacol ester,1-benzyl-1h-pyrazole-4-boronic acid, pinacol ester,1-benzyl-1h-pyrazol-4-ylboronic acid, pinacol ester,1-benzyl-4-pyrazoleboronic acid pinacol ester,1-benzyl-4-tetramethyl-1,3,2-dioxaborolan-2-yl pyrazole |
| IUPAC Name | 1-benzyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole |
| InChI Key | ZVPORPUUZXIPEF-UHFFFAOYSA-N |
| Molecular Formula | C16H21BN2O2 |
| PubChem CID | 23120827 |
|---|---|
| CAS | 419536-33-7 |
| MDL Number | MFCD13176534 |
| Color | White |
| Physical Form | Crystalline Powder |
| TSCA | No |
| InChI Key | JGAVTCVHDMOQTJ-UHFFFAOYSA-N |
| Molecular Formula | C18H14BNO2 |
| Formula Weight | 287.13 |
| Melting Point | 264°C |
Clozapine 98.0+%, TCI America™
CAS: 5786-21-0 Molecular Formula: C18H19ClN4 Molecular Weight (g/mol): 326.828 MDL Number: MFCD00153785 InChI Key: ZUXABONWMNSFBN-UHFFFAOYSA-N Synonym: clozapine,leponex,clozapin,clozaril,fazaclo,clorazil,iprox,clozapinum,asaleptin,clozapina PubChem CID: 2818 IUPAC Name: 3-chloro-6-(4-methylpiperazin-1-yl)-5H-benzo[b][1,4]benzodiazepine SMILES: CN1CCN(CC1)C2=C3C=CC=CC3=NC4=C(N2)C=C(C=C4)Cl
| PubChem CID | 2818 |
|---|---|
| CAS | 5786-21-0 |
| Molecular Weight (g/mol) | 326.828 |
| MDL Number | MFCD00153785 |
| SMILES | CN1CCN(CC1)C2=C3C=CC=CC3=NC4=C(N2)C=C(C=C4)Cl |
| Synonym | clozapine,leponex,clozapin,clozaril,fazaclo,clorazil,iprox,clozapinum,asaleptin,clozapina |
| IUPAC Name | 3-chloro-6-(4-methylpiperazin-1-yl)-5H-benzo[b][1,4]benzodiazepine |
| InChI Key | ZUXABONWMNSFBN-UHFFFAOYSA-N |
| Molecular Formula | C18H19ClN4 |
Citraconic Anhydride 98.0+%, TCI America™
CAS: 616-02-4 Molecular Formula: C5H4O3 Molecular Weight (g/mol): 112.084 MDL Number: MFCD00005522 InChI Key: AYKYXWQEBUNJCN-UHFFFAOYSA-N Synonym: citraconic anhydride,2,5-furandione, 3-methyl,2-methylmaleic anhydride,methylmaleic anhydride,3-methylmaleic anhydride,citraconic acid anhydride,monomethylmaleic anhydride,maleic anhydride, methyl,2-methylmaleicanhydride,unii-105np7pmxx PubChem CID: 12012 IUPAC Name: 3-methylfuran-2,5-dione SMILES: CC1=CC(=O)OC1=O
| PubChem CID | 12012 |
|---|---|
| CAS | 616-02-4 |
| Molecular Weight (g/mol) | 112.084 |
| MDL Number | MFCD00005522 |
| SMILES | CC1=CC(=O)OC1=O |
| Synonym | citraconic anhydride,2,5-furandione, 3-methyl,2-methylmaleic anhydride,methylmaleic anhydride,3-methylmaleic anhydride,citraconic acid anhydride,monomethylmaleic anhydride,maleic anhydride, methyl,2-methylmaleicanhydride,unii-105np7pmxx |
| IUPAC Name | 3-methylfuran-2,5-dione |
| InChI Key | AYKYXWQEBUNJCN-UHFFFAOYSA-N |
| Molecular Formula | C5H4O3 |
16-Hexadecanolide 97.0+%, TCI America™
CAS: 109-29-5 Molecular Formula: C16H30O2 Molecular Weight (g/mol): 254.41 MDL Number: MFCD00039668 InChI Key: LOKPJYNMYCVCRM-UHFFFAOYSA-N Synonym: 16-hexadecanolide,hexadecanolide,cyclohexadecanolide,16-hexadecanolactone,1,16-hexadecanolide,dihydroambrettolide,juniperic acid lactone,1,16-hexadecanolactone,hexadecanolactone,16-hydroxyhexadecanoic acid lactone PubChem CID: 7984 IUPAC Name: 1-oxacycloheptadecan-2-one SMILES: O=C1CCCCCCCCCCCCCCCO1
| PubChem CID | 7984 |
|---|---|
| CAS | 109-29-5 |
| Molecular Weight (g/mol) | 254.41 |
| MDL Number | MFCD00039668 |
| SMILES | O=C1CCCCCCCCCCCCCCCO1 |
| Synonym | 16-hexadecanolide,hexadecanolide,cyclohexadecanolide,16-hexadecanolactone,1,16-hexadecanolide,dihydroambrettolide,juniperic acid lactone,1,16-hexadecanolactone,hexadecanolactone,16-hydroxyhexadecanoic acid lactone |
| IUPAC Name | 1-oxacycloheptadecan-2-one |
| InChI Key | LOKPJYNMYCVCRM-UHFFFAOYSA-N |
| Molecular Formula | C16H30O2 |
2-Coumaranone 98.0+%, TCI America™
CAS: 553-86-6 Molecular Formula: C8H6O2 Molecular Weight (g/mol): 134.134 MDL Number: MFCD00005856 InChI Key: ACZGCWSMSTYWDQ-UHFFFAOYSA-N Synonym: 2-coumaranone,benzofuran-2 3h-one,2 3h-benzofuranone,3h-benzofuran-2-one,benzofuran-2-one,benzofuranone,1-benzofuran-2 3h-one,isocoumaranone,2-coumarotioiie PubChem CID: 68382 IUPAC Name: 3H-1-benzofuran-2-one SMILES: C1C2=CC=CC=C2OC1=O
| PubChem CID | 68382 |
|---|---|
| CAS | 553-86-6 |
| Molecular Weight (g/mol) | 134.134 |
| MDL Number | MFCD00005856 |
| SMILES | C1C2=CC=CC=C2OC1=O |
| Synonym | 2-coumaranone,benzofuran-2 3h-one,2 3h-benzofuranone,3h-benzofuran-2-one,benzofuran-2-one,benzofuranone,1-benzofuran-2 3h-one,isocoumaranone,2-coumarotioiie |
| IUPAC Name | 3H-1-benzofuran-2-one |
| InChI Key | ACZGCWSMSTYWDQ-UHFFFAOYSA-N |
| Molecular Formula | C8H6O2 |
Diphenic Anhydride 98.0+%, TCI America™
CAS: 6050-13-1 Molecular Formula: C14H8O3 Molecular Weight (g/mol): 224.215 MDL Number: MFCD00004993 InChI Key: RTSGJTANVBJFFJ-UHFFFAOYSA-N Synonym: diphenic anhydride,dibenzo c,e oxepine-5,7-dione,dibenz c,e oxepin-5,7-dione,2,2'-biphenyldicarboxylic anhydride,2,2'-diphenyldicarboxylic anhydride,diphenic acid anhydride,2,2-biphenyldicarboxylic anhydride,dibenz c,7-dione,dibenzo c,e oxepane-5,7-dione PubChem CID: 72794 IUPAC Name: benzo[d][2]benzoxepine-5,7-dione SMILES: C1=CC=C2C(=C1)C3=CC=CC=C3C(=O)OC2=O
| PubChem CID | 72794 |
|---|---|
| CAS | 6050-13-1 |
| Molecular Weight (g/mol) | 224.215 |
| MDL Number | MFCD00004993 |
| SMILES | C1=CC=C2C(=C1)C3=CC=CC=C3C(=O)OC2=O |
| Synonym | diphenic anhydride,dibenzo c,e oxepine-5,7-dione,dibenz c,e oxepin-5,7-dione,2,2'-biphenyldicarboxylic anhydride,2,2'-diphenyldicarboxylic anhydride,diphenic acid anhydride,2,2-biphenyldicarboxylic anhydride,dibenz c,7-dione,dibenzo c,e oxepane-5,7-dione |
| IUPAC Name | benzo[d][2]benzoxepine-5,7-dione |
| InChI Key | RTSGJTANVBJFFJ-UHFFFAOYSA-N |
| Molecular Formula | C14H8O3 |
2,2-Dimethyl-1,3-dioxolane 98.0+%, TCI America™
CAS: 2916-31-6 Molecular Formula: C5H10O2 Molecular Weight (g/mol): 102.13 MDL Number: MFCD00014106 InChI Key: SIJBDWPVNAYVGY-UHFFFAOYSA-N Synonym: 1,3-dioxolane, 2,2-dimethyl,2,2-dimethyl-1,3-dioxolan,1,3-dioxolane, dimethyl,acetone ethylene ketal,acetone ethylene acetal,acetone, cyclic ethylene acetal,1,3-dioxolane,2,2-dimethyl,sijbdwpvnayvgy-uhfffaoysa,2,2-dimethyl-1,3-dioxolane PubChem CID: 76209 IUPAC Name: 2,2-dimethyl-1,3-dioxolane SMILES: CC1(C)OCCO1
| PubChem CID | 76209 |
|---|---|
| CAS | 2916-31-6 |
| Molecular Weight (g/mol) | 102.13 |
| MDL Number | MFCD00014106 |
| SMILES | CC1(C)OCCO1 |
| Synonym | 1,3-dioxolane, 2,2-dimethyl,2,2-dimethyl-1,3-dioxolan,1,3-dioxolane, dimethyl,acetone ethylene ketal,acetone ethylene acetal,acetone, cyclic ethylene acetal,1,3-dioxolane,2,2-dimethyl,sijbdwpvnayvgy-uhfffaoysa,2,2-dimethyl-1,3-dioxolane |
| IUPAC Name | 2,2-dimethyl-1,3-dioxolane |
| InChI Key | SIJBDWPVNAYVGY-UHFFFAOYSA-N |
| Molecular Formula | C5H10O2 |
6-Isopropylchromone-3-carbonitrile 98.0+%, TCI America™
CAS: 50743-32-3 Molecular Formula: C13H11NO2 Molecular Weight (g/mol): 213.24 MDL Number: MFCD00191961 InChI Key: IMVAJLIIWCJMJP-UHFFFAOYSA-N Synonym: 6-Isopropyl-4-oxo-4H-1-benzopyran-3-carbonitrile, 3-Cyano-6-isopropylchromone PubChem CID: 736017 IUPAC Name: 4-oxo-6-(propan-2-yl)-4H-chromene-3-carbonitrile SMILES: CC(C)C1=CC=C2OC=C(C#N)C(=O)C2=C1
| PubChem CID | 736017 |
|---|---|
| CAS | 50743-32-3 |
| Molecular Weight (g/mol) | 213.24 |
| MDL Number | MFCD00191961 |
| SMILES | CC(C)C1=CC=C2OC=C(C#N)C(=O)C2=C1 |
| Synonym | 6-Isopropyl-4-oxo-4H-1-benzopyran-3-carbonitrile, 3-Cyano-6-isopropylchromone |
| IUPAC Name | 4-oxo-6-(propan-2-yl)-4H-chromene-3-carbonitrile |
| InChI Key | IMVAJLIIWCJMJP-UHFFFAOYSA-N |
| Molecular Formula | C13H11NO2 |
alpha-Pyrone 98.0+%, TCI America™
CAS: 504-31-4 Molecular Formula: C5H4O2 Molecular Weight (g/mol): 96.085 MDL Number: MFCD00006639 InChI Key: ZPSJGADGUYYRKE-UHFFFAOYSA-N Synonym: 2h-pyran-2-one,alpha-pyrone,2-pyranone,2-pyrone,coumalin,pyrone,.alpha.-pyrone,unii-8ww45i202v,2-oxo-2h-pyran,oxidopyrylium PubChem CID: 68154 ChEBI: CHEBI:37965 IUPAC Name: pyran-2-one SMILES: C1=CC(=O)OC=C1
| PubChem CID | 68154 |
|---|---|
| CAS | 504-31-4 |
| Molecular Weight (g/mol) | 96.085 |
| ChEBI | CHEBI:37965 |
| MDL Number | MFCD00006639 |
| SMILES | C1=CC(=O)OC=C1 |
| Synonym | 2h-pyran-2-one,alpha-pyrone,2-pyranone,2-pyrone,coumalin,pyrone,.alpha.-pyrone,unii-8ww45i202v,2-oxo-2h-pyran,oxidopyrylium |
| IUPAC Name | pyran-2-one |
| InChI Key | ZPSJGADGUYYRKE-UHFFFAOYSA-N |
| Molecular Formula | C5H4O2 |
5-Benzotriazolecarboxylic Acid 96.0+%, TCI America™
CAS: 23814-12-2 Molecular Formula: C7H5N3O2 Molecular Weight (g/mol): 163.136 MDL Number: MFCD00012318 InChI Key: GUOVBFFLXKJFEE-UHFFFAOYSA-N Synonym: 5-Carboxybenzotriazole PubChem CID: 72917 IUPAC Name: 2H-benzotriazole-5-carboxylic acid SMILES: C1=CC2=NNN=C2C=C1C(=O)O
| PubChem CID | 72917 |
|---|---|
| CAS | 23814-12-2 |
| Molecular Weight (g/mol) | 163.136 |
| MDL Number | MFCD00012318 |
| SMILES | C1=CC2=NNN=C2C=C1C(=O)O |
| Synonym | 5-Carboxybenzotriazole |
| IUPAC Name | 2H-benzotriazole-5-carboxylic acid |
| InChI Key | GUOVBFFLXKJFEE-UHFFFAOYSA-N |
| Molecular Formula | C7H5N3O2 |