Organoheterocyclic compounds
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3,5-Dibromopyridine 98.0+%, TCI America™
CAS: 625-92-3 Molecular Formula: C5H3Br2N Molecular Weight (g/mol): 236.89 MDL Number: MFCD00014634 InChI Key: SOSPMXMEOFGPIM-UHFFFAOYSA-N Synonym: pyridine, 3,5-dibromo,3,5-dibromo-pyridine,3,5-dibromo pyridine,3,5-dibrompyridin,zlchem 300,3.5-dibromopyridine,3,5-dibromo-pyridin,pubchem2133,3, 5-dibromopyridine,acmc-1auln PubChem CID: 69369 ChEBI: CHEBI:51593 IUPAC Name: 3,5-dibromopyridine SMILES: BrC1=CC(Br)=CN=C1
| PubChem CID | 69369 |
|---|---|
| CAS | 625-92-3 |
| Molecular Weight (g/mol) | 236.89 |
| ChEBI | CHEBI:51593 |
| MDL Number | MFCD00014634 |
| SMILES | BrC1=CC(Br)=CN=C1 |
| Synonym | pyridine, 3,5-dibromo,3,5-dibromo-pyridine,3,5-dibromo pyridine,3,5-dibrompyridin,zlchem 300,3.5-dibromopyridine,3,5-dibromo-pyridin,pubchem2133,3, 5-dibromopyridine,acmc-1auln |
| IUPAC Name | 3,5-dibromopyridine |
| InChI Key | SOSPMXMEOFGPIM-UHFFFAOYSA-N |
| Molecular Formula | C5H3Br2N |
Mefloquine Hydrochloride 98.0+%, TCI America™
CAS: 51773-92-3 Molecular Formula: C17H17ClF6N2O Molecular Weight (g/mol): 414.78 MDL Number: MFCD00797519,MFCD00797519 InChI Key: WESWYMRNZNDGBX-UHFFFAOYNA-N Synonym: mefloquine hcl,r-2,8-bis trifluoromethyl quinolin-4-yl s-piperidin-2-yl methanol hydrochloride,r*,s*-2,8-bis-trifluoromethyl-quinolin-4-yl-piperidin-2-yl-methanol hydrochloride,r-2,8-bis trifluoromethyl quinolin-4-yl-2s-piperidin-2-yl methanol;hydrochloride,as-rel-a-2r-2-piperidinyl-2,8-bis trifluoromethyl-4-quinolinemethanol monohydrochloride,+-mefloquine hydrochloride,unii-5y9l3636o3 component,r-2,8-bis trifluoromethyl-4-quinolinyl 2s-2-piperidinyl methanol hydrochloride,r-2,8-bis trifluoromethyl quinolin-4-yl 2s-piperidin-2-yl methanol hydrochloride,s-2,8-bis trifluoromethyl quinolin-4-yl r-piperidin-2-yl methanolhydrochloride PubChem CID: 18660697 IUPAC Name: hydrogen [2,8-bis(trifluoromethyl)quinolin-4-yl](piperidin-2-yl)methanol chloride SMILES: [H+].[Cl-].OC(C1CCCCN1)C1=C2C=CC=C(C2=NC(=C1)C(F)(F)F)C(F)(F)F
| PubChem CID | 18660697 |
|---|---|
| CAS | 51773-92-3 |
| Molecular Weight (g/mol) | 414.78 |
| MDL Number | MFCD00797519,MFCD00797519 |
| SMILES | [H+].[Cl-].OC(C1CCCCN1)C1=C2C=CC=C(C2=NC(=C1)C(F)(F)F)C(F)(F)F |
| Synonym | mefloquine hcl,r-2,8-bis trifluoromethyl quinolin-4-yl s-piperidin-2-yl methanol hydrochloride,r*,s*-2,8-bis-trifluoromethyl-quinolin-4-yl-piperidin-2-yl-methanol hydrochloride,r-2,8-bis trifluoromethyl quinolin-4-yl-2s-piperidin-2-yl methanol;hydrochloride,as-rel-a-2r-2-piperidinyl-2,8-bis trifluoromethyl-4-quinolinemethanol monohydrochloride,+-mefloquine hydrochloride,unii-5y9l3636o3 component,r-2,8-bis trifluoromethyl-4-quinolinyl 2s-2-piperidinyl methanol hydrochloride,r-2,8-bis trifluoromethyl quinolin-4-yl 2s-piperidin-2-yl methanol hydrochloride,s-2,8-bis trifluoromethyl quinolin-4-yl r-piperidin-2-yl methanolhydrochloride |
| IUPAC Name | hydrogen [2,8-bis(trifluoromethyl)quinolin-4-yl](piperidin-2-yl)methanol chloride |
| InChI Key | WESWYMRNZNDGBX-UHFFFAOYNA-N |
| Molecular Formula | C17H17ClF6N2O |
Phenothiazine 98.0+%, TCI America™
CAS: 92-84-2 Molecular Formula: C12H9NS Molecular Weight (g/mol): 199.271 MDL Number: MFCD00005015 InChI Key: WJFKNYWRSNBZNX-UHFFFAOYSA-N Synonym: phenothiazine,thiodiphenylamine,feeno,dibenzothiazine,phenosan,phenthiazine,dibenzo-1,4-thiazine,penthazine,souframine,agrazine PubChem CID: 7108 ChEBI: CHEBI:37931 IUPAC Name: 10H-phenothiazine SMILES: C1=CC=C2C(=C1)NC3=CC=CC=C3S2
| PubChem CID | 7108 |
|---|---|
| CAS | 92-84-2 |
| Molecular Weight (g/mol) | 199.271 |
| ChEBI | CHEBI:37931 |
| MDL Number | MFCD00005015 |
| SMILES | C1=CC=C2C(=C1)NC3=CC=CC=C3S2 |
| Synonym | phenothiazine,thiodiphenylamine,feeno,dibenzothiazine,phenosan,phenthiazine,dibenzo-1,4-thiazine,penthazine,souframine,agrazine |
| IUPAC Name | 10H-phenothiazine |
| InChI Key | WJFKNYWRSNBZNX-UHFFFAOYSA-N |
| Molecular Formula | C12H9NS |
Allyl Glycidyl Ether 99.0+%, TCI America™
CAS: 106-92-3 Molecular Formula: C6H10O2 Molecular Weight (g/mol): 114.144 MDL Number: MFCD00005143 InChI Key: LSWYGACWGAICNM-UHFFFAOYSA-N Synonym: allyl glycidyl ether,glycidyl allyl ether,allylglycidaether,oxirane, 2-propenyloxy methyl,allyl 2,3-epoxypropyl ether,allil-glicidil-etere,neoallyl g,1,2-epoxy-3-allyloxypropane,1-allyloxy-2,3-epoxypropane,santolin xi PubChem CID: 7838 IUPAC Name: 2-(prop-2-enoxymethyl)oxirane SMILES: C=CCOCC1CO1
| PubChem CID | 7838 |
|---|---|
| CAS | 106-92-3 |
| Molecular Weight (g/mol) | 114.144 |
| MDL Number | MFCD00005143 |
| SMILES | C=CCOCC1CO1 |
| Synonym | allyl glycidyl ether,glycidyl allyl ether,allylglycidaether,oxirane, 2-propenyloxy methyl,allyl 2,3-epoxypropyl ether,allil-glicidil-etere,neoallyl g,1,2-epoxy-3-allyloxypropane,1-allyloxy-2,3-epoxypropane,santolin xi |
| IUPAC Name | 2-(prop-2-enoxymethyl)oxirane |
| InChI Key | LSWYGACWGAICNM-UHFFFAOYSA-N |
| Molecular Formula | C6H10O2 |
D-Glucurono-6,3-lactone 99.0+%, TCI America™
CAS: 32449-92-6 Molecular Formula: C6H8O6 Molecular Weight (g/mol): 176.124 MDL Number: MFCD00135622 InChI Key: UYUXSRADSPPKRZ-KKQCNMDGSA-N Synonym: d-glucuro-3,6-lactone PubChem CID: 91634076 IUPAC Name: (2S)-2-[(2S,3S,4R)-3,4-dihydroxy-5-oxooxolan-2-yl]-2-hydroxyacetaldehyde SMILES: C(=O)C(C1C(C(C(=O)O1)O)O)O
| PubChem CID | 91634076 |
|---|---|
| CAS | 32449-92-6 |
| Molecular Weight (g/mol) | 176.124 |
| MDL Number | MFCD00135622 |
| SMILES | C(=O)C(C1C(C(C(=O)O1)O)O)O |
| Synonym | d-glucuro-3,6-lactone |
| IUPAC Name | (2S)-2-[(2S,3S,4R)-3,4-dihydroxy-5-oxooxolan-2-yl]-2-hydroxyacetaldehyde |
| InChI Key | UYUXSRADSPPKRZ-KKQCNMDGSA-N |
| Molecular Formula | C6H8O6 |
2,3-Dichloro-5-hydroxypyridine 98.0+%, TCI America™
CAS: 110860-92-9 Molecular Formula: C5H3Cl2NO Molecular Weight (g/mol): 163.985 MDL Number: MFCD09835219 InChI Key: GMHPKIGFTDRQBP-UHFFFAOYSA-N Synonym: 5,6-Dichloro-3-pyridinol PubChem CID: 14391672 IUPAC Name: 5,6-dichloropyridin-3-ol SMILES: C1=C(C=NC(=C1Cl)Cl)O
| PubChem CID | 14391672 |
|---|---|
| CAS | 110860-92-9 |
| Molecular Weight (g/mol) | 163.985 |
| MDL Number | MFCD09835219 |
| SMILES | C1=C(C=NC(=C1Cl)Cl)O |
| Synonym | 5,6-Dichloro-3-pyridinol |
| IUPAC Name | 5,6-dichloropyridin-3-ol |
| InChI Key | GMHPKIGFTDRQBP-UHFFFAOYSA-N |
| Molecular Formula | C5H3Cl2NO |
(S)-1-(tert-Butoxycarbonyl)-3-pyrrolidinol 98.0+%, TCI America™
CAS: 101469-92-5 Molecular Formula: C9H17NO3 Molecular Weight (g/mol): 187.239 MDL Number: MFCD01317839 InChI Key: APCBTRDHCDOPNY-ZETCQYMHSA-N Synonym: s-1-n-boc-3-hydroxypyrrolidine,s-tert-butyl 3-hydroxypyrrolidine-1-carboxylate,s-1-boc-3-hydroxypyrrolidine,s-+-1-boc-3-hydroxypyrrolidine,tert-butyl 3s-3-hydroxypyrrolidine-1-carboxylate,s-n-boc-3-pyrrolidinol,s-1-boc-3-pyrrolidinol,s-bochp,n-tert-butoxycarbonyl-s-+-3-pyrrolidinol,s-+-n-boc-3-pyrrolidinol PubChem CID: 854055 IUPAC Name: tert-butyl (3S)-3-hydroxypyrrolidine-1-carboxylate SMILES: CC(C)(C)OC(=O)N1CCC(C1)O
| PubChem CID | 854055 |
|---|---|
| CAS | 101469-92-5 |
| Molecular Weight (g/mol) | 187.239 |
| MDL Number | MFCD01317839 |
| SMILES | CC(C)(C)OC(=O)N1CCC(C1)O |
| Synonym | s-1-n-boc-3-hydroxypyrrolidine,s-tert-butyl 3-hydroxypyrrolidine-1-carboxylate,s-1-boc-3-hydroxypyrrolidine,s-+-1-boc-3-hydroxypyrrolidine,tert-butyl 3s-3-hydroxypyrrolidine-1-carboxylate,s-n-boc-3-pyrrolidinol,s-1-boc-3-pyrrolidinol,s-bochp,n-tert-butoxycarbonyl-s-+-3-pyrrolidinol,s-+-n-boc-3-pyrrolidinol |
| IUPAC Name | tert-butyl (3S)-3-hydroxypyrrolidine-1-carboxylate |
| InChI Key | APCBTRDHCDOPNY-ZETCQYMHSA-N |
| Molecular Formula | C9H17NO3 |
2-(5-Bromo-2-thienyl)-2,3-dihydro-1H-naphtho[1,8-de][1,3,2]diazaborine 98.0+%, TCI America™
CAS: 927384-46-1 Molecular Formula: C14H10BBrN2S Molecular Weight (g/mol): 329.022 InChI Key: POCAQBXWVHDOHU-UHFFFAOYSA-N Synonym: 2-Bromo-5-(2,3-dihydro-1H-naphtho[1,8-de]-1,3,2-diazaborinyl)thiophene, 2-(5-Bromo-2-thienyl)-2,3-dihydro-1H-naphtho[1,8-de][1,3,2]diazaborinine PubChem CID: 56973702 SMILES: B1(NC2=CC=CC3=C2C(=CC=C3)N1)C4=CC=C(S4)Br
| PubChem CID | 56973702 |
|---|---|
| CAS | 927384-46-1 |
| Molecular Weight (g/mol) | 329.022 |
| SMILES | B1(NC2=CC=CC3=C2C(=CC=C3)N1)C4=CC=C(S4)Br |
| Synonym | 2-Bromo-5-(2,3-dihydro-1H-naphtho[1,8-de]-1,3,2-diazaborinyl)thiophene, 2-(5-Bromo-2-thienyl)-2,3-dihydro-1H-naphtho[1,8-de][1,3,2]diazaborinine |
| InChI Key | POCAQBXWVHDOHU-UHFFFAOYSA-N |
| Molecular Formula | C14H10BBrN2S |
2,3:4,5-Di-O-isopropylidene-beta-D-fructopyranose 98.0+%, TCI America™
CAS: 20880-92-6 Molecular Formula: C12H20O6 Molecular Weight (g/mol): 260.286 MDL Number: MFCD00022183 InChI Key: PSSHGMIAIUYOJF-OZFQHSNDSA-N Synonym: 2,3:4,5-bis-o-1,2 methylethylidene-beta-d-fruetopyranose PubChem CID: 45357248 IUPAC Name: [(3aR,5aS,8aS)-2,2,7,7-tetramethyl-5,5a,8a,8b-tetrahydrodi[1,3]dioxolo[4,5-a SMILES: CC1(OC2COC3(C(C2O1)OC(O3)(C)C)CO)C
| PubChem CID | 45357248 |
|---|---|
| CAS | 20880-92-6 |
| Molecular Weight (g/mol) | 260.286 |
| MDL Number | MFCD00022183 |
| SMILES | CC1(OC2COC3(C(C2O1)OC(O3)(C)C)CO)C |
| Synonym | 2,3:4,5-bis-o-1,2 methylethylidene-beta-d-fruetopyranose |
| IUPAC Name | [(3aR,5aS,8aS)-2,2,7,7-tetramethyl-5,5a,8a,8b-tetrahydrodi[1,3]dioxolo[4,5-a |
| InChI Key | PSSHGMIAIUYOJF-OZFQHSNDSA-N |
| Molecular Formula | C12H20O6 |
N,N'-Ditridecyl-3,4,9,10-perylenetetracarboxylic Diimide 98.0+%, TCI America™
CAS: 95689-92-2 Molecular Formula: C50H62N2O4 Molecular Weight (g/mol): 755.056 MDL Number: MFCD00134587 InChI Key: XCAZCFDCJHGAIT-UHFFFAOYSA-N Synonym: PTCDI-C13 PubChem CID: 3295215 SMILES: CCCCCCCCCCCCCN1C(=O)C2=C3C(=CC=C4C3=C(C=C2)C5=C6C4=CC=C7C6=C(C=C5)C(=O)N(C7=O)CCCCCCCCCCCCC)C1=O
| PubChem CID | 3295215 |
|---|---|
| CAS | 95689-92-2 |
| Molecular Weight (g/mol) | 755.056 |
| MDL Number | MFCD00134587 |
| SMILES | CCCCCCCCCCCCCN1C(=O)C2=C3C(=CC=C4C3=C(C=C2)C5=C6C4=CC=C7C6=C(C=C5)C(=O)N(C7=O)CCCCCCCCCCCCC)C1=O |
| Synonym | PTCDI-C13 |
| InChI Key | XCAZCFDCJHGAIT-UHFFFAOYSA-N |
| Molecular Formula | C50H62N2O4 |
3-(Trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine Hydrochloride 98.0+%, TCI America™
CAS: 762240-92-6 Molecular Formula: C6H8ClF3N4 Molecular Weight (g/mol): 228.603 MDL Number: MFCD09817638 InChI Key: AQCSCRYRCRORET-UHFFFAOYSA-N Synonym: 3-trifluoromethyl-5,6,7,8-tetrahydro-1,2,4 triazolo 4,3-a pyrazine hydrochloride,3-trifluoromethyl-5h,6h,7h,8h-1,2,4 triazolo 4,3-a pyrazine hydrochloride,3-trifluoromethyl-5,6,7,8-tetrahydro-1,2,4-triazolo 4,3-a pyrazine hydrochloride,3-trifluoromethyl-1,2,4-triazolo 4,3-a piperazine hydrochloride,3-trifluoromethyl-5,6,7,8-tetrahydro-1,2,4 triazolo 4,3-a pyrazine hcl,3-trifluoromethyl-5,6,7,8-tetrahydro-1,2,4-triazolo-4,3-a pyrazine hydrochloride,3-trifluoromethyl-5,6,7,8-tetrahydro 1,2,4 triazolo 4,3-a pyrazine hydrochloride,5,6,7,8-tetrahydro-3-trifluormethyl-4,3-a-1,2,4-triazolopyrazine hydrochloride,pubchem18203 PubChem CID: 11961371 IUPAC Name: 3-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine;hydrochloride SMILES: C1CN2C(=NN=C2C(F)(F)F)CN1.Cl
| PubChem CID | 11961371 |
|---|---|
| CAS | 762240-92-6 |
| Molecular Weight (g/mol) | 228.603 |
| MDL Number | MFCD09817638 |
| SMILES | C1CN2C(=NN=C2C(F)(F)F)CN1.Cl |
| Synonym | 3-trifluoromethyl-5,6,7,8-tetrahydro-1,2,4 triazolo 4,3-a pyrazine hydrochloride,3-trifluoromethyl-5h,6h,7h,8h-1,2,4 triazolo 4,3-a pyrazine hydrochloride,3-trifluoromethyl-5,6,7,8-tetrahydro-1,2,4-triazolo 4,3-a pyrazine hydrochloride,3-trifluoromethyl-1,2,4-triazolo 4,3-a piperazine hydrochloride,3-trifluoromethyl-5,6,7,8-tetrahydro-1,2,4 triazolo 4,3-a pyrazine hcl,3-trifluoromethyl-5,6,7,8-tetrahydro-1,2,4-triazolo-4,3-a pyrazine hydrochloride,3-trifluoromethyl-5,6,7,8-tetrahydro 1,2,4 triazolo 4,3-a pyrazine hydrochloride,5,6,7,8-tetrahydro-3-trifluormethyl-4,3-a-1,2,4-triazolopyrazine hydrochloride,pubchem18203 |
| IUPAC Name | 3-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine;hydrochloride |
| InChI Key | AQCSCRYRCRORET-UHFFFAOYSA-N |
| Molecular Formula | C6H8ClF3N4 |
3-Fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine 98.0+%, TCI America™
CAS: 719268-92-5 Molecular Formula: C11H15BFNO2 Molecular Weight (g/mol): 223.054 MDL Number: MFCD07780754 InChI Key: VFMTUTYBMBTIGA-UHFFFAOYSA-N Synonym: 2-(5-Fluoro-3-pyridyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane, 5-Fluoro-3-pyridylboronic Acid Pinacol Ester PubChem CID: 16414268 IUPAC Name: 3-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine SMILES: B1(OC(C(O1)(C)C)(C)C)C2=CC(=CN=C2)F
| PubChem CID | 16414268 |
|---|---|
| CAS | 719268-92-5 |
| Molecular Weight (g/mol) | 223.054 |
| MDL Number | MFCD07780754 |
| SMILES | B1(OC(C(O1)(C)C)(C)C)C2=CC(=CN=C2)F |
| Synonym | 2-(5-Fluoro-3-pyridyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane, 5-Fluoro-3-pyridylboronic Acid Pinacol Ester |
| IUPAC Name | 3-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine |
| InChI Key | VFMTUTYBMBTIGA-UHFFFAOYSA-N |
| Molecular Formula | C11H15BFNO2 |
Ammeline 95.0+%, TCI America™
CAS: 645-92-1 Molecular Formula: C3H5N5O Molecular Weight (g/mol): 127.107 MDL Number: MFCD00023186 InChI Key: MASBWURJQFFLOO-UHFFFAOYSA-N Synonym: ammeline,4,6-diamino-1,3,5-triazin-2-ol,ammelin,1,3,5-triazin-2 1h-one, 4,6-diamino,2,4-diamino-6-hydroxy-1,3,5-triazine,cyanurodiamide,2,4-diamino-1,3,5-triazin-6-one,4,6-diamino-1,3,5-triazin-2 1h-one,unii-lc8g9556q0,s-triazin-2-ol, 4,6-diamino PubChem CID: 12583 ChEBI: CHEBI:28646 IUPAC Name: 2,6-diamino-1H-1,3,5-triazin-4-one SMILES: C1(=NC(=O)N=C(N1)N)N
| PubChem CID | 12583 |
|---|---|
| CAS | 645-92-1 |
| Molecular Weight (g/mol) | 127.107 |
| ChEBI | CHEBI:28646 |
| MDL Number | MFCD00023186 |
| SMILES | C1(=NC(=O)N=C(N1)N)N |
| Synonym | ammeline,4,6-diamino-1,3,5-triazin-2-ol,ammelin,1,3,5-triazin-2 1h-one, 4,6-diamino,2,4-diamino-6-hydroxy-1,3,5-triazine,cyanurodiamide,2,4-diamino-1,3,5-triazin-6-one,4,6-diamino-1,3,5-triazin-2 1h-one,unii-lc8g9556q0,s-triazin-2-ol, 4,6-diamino |
| IUPAC Name | 2,6-diamino-1H-1,3,5-triazin-4-one |
| InChI Key | MASBWURJQFFLOO-UHFFFAOYSA-N |
| Molecular Formula | C3H5N5O |
Tropisetron Hydrochloride 98.0+%, TCI America™
CAS: 105826-92-4 Molecular Formula: C17H21ClN2O2 Molecular Weight (g/mol): 320.817 MDL Number: MFCD00210221 InChI Key: XIEGSJAEZIGKSA-ICHLHHFLSA-N Synonym: sdz-ics 930 PubChem CID: 71300439 IUPAC Name: [(5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] 1H-indole-3-carboxylate;hydrochloride SMILES: CN1C2CCC1CC(C2)OC(=O)C3=CNC4=CC=CC=C43.Cl
| PubChem CID | 71300439 |
|---|---|
| CAS | 105826-92-4 |
| Molecular Weight (g/mol) | 320.817 |
| MDL Number | MFCD00210221 |
| SMILES | CN1C2CCC1CC(C2)OC(=O)C3=CNC4=CC=CC=C43.Cl |
| Synonym | sdz-ics 930 |
| IUPAC Name | [(5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] 1H-indole-3-carboxylate;hydrochloride |
| InChI Key | XIEGSJAEZIGKSA-ICHLHHFLSA-N |
| Molecular Formula | C17H21ClN2O2 |
9-n-Octyl-2,7-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole 97.0+%, TCI America™
CAS: 406726-92-9 Molecular Formula: C32H47B2NO4 Molecular Weight (g/mol): 531.351 MDL Number: MFCD23703114 InChI Key: XVVSDGVWSRLSDI-UHFFFAOYSA-N Synonym: 9-n-Octyl-9H-carbazole-2,7-diboronic Acid Bis(pinacol) Ester PubChem CID: 11318555 IUPAC Name: 9-octyl-2,7-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole SMILES: B1(OC(C(O1)(C)C)(C)C)C2=CC3=C(C=C2)C4=C(N3CCCCCCCC)C=C(C=C4)B5OC(C(O5)(C)C)(C)C
| PubChem CID | 11318555 |
|---|---|
| CAS | 406726-92-9 |
| Molecular Weight (g/mol) | 531.351 |
| MDL Number | MFCD23703114 |
| SMILES | B1(OC(C(O1)(C)C)(C)C)C2=CC3=C(C=C2)C4=C(N3CCCCCCCC)C=C(C=C4)B5OC(C(O5)(C)C)(C)C |
| Synonym | 9-n-Octyl-9H-carbazole-2,7-diboronic Acid Bis(pinacol) Ester |
| IUPAC Name | 9-octyl-2,7-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole |
| InChI Key | XVVSDGVWSRLSDI-UHFFFAOYSA-N |
| Molecular Formula | C32H47B2NO4 |