Organoheterocyclic compounds
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4-Chloro-7-nitrobenzofurazan, 98%
CAS: 10199-89-0 Molecular Formula: C6H2ClN3O3 Molecular Weight (g/mol): 199.55 MDL Number: MFCD00005808 InChI Key: IGHBXJSNZCFXNK-UHFFFAOYSA-N Synonym: 4-chloro-7-nitrobenzofurazan,nbd chloride,4-chloro-7-nitrobenzo-2-oxa-1,3-diazole,nbd-cl,7-chloro-4-nitrobenzofurazan,2,1,3-benzoxadiazole, 4-chloro-7-nitro,nbd-chloride,nbd-c 1,1-chloro-4-nitrobenzoxadiazole,4-nitro-7-chlorobenzofurazan PubChem CID: 25043 ChEBI: CHEBI:78878 IUPAC Name: 4-chloro-7-nitro-2,1,3-benzoxadiazole SMILES: C1=C(C2=NON=C2C(=C1)Cl)[N+](=O)[O-]
| PubChem CID | 25043 |
|---|---|
| CAS | 10199-89-0 |
| Molecular Weight (g/mol) | 199.55 |
| ChEBI | CHEBI:78878 |
| MDL Number | MFCD00005808 |
| SMILES | C1=C(C2=NON=C2C(=C1)Cl)[N+](=O)[O-] |
| Synonym | 4-chloro-7-nitrobenzofurazan,nbd chloride,4-chloro-7-nitrobenzo-2-oxa-1,3-diazole,nbd-cl,7-chloro-4-nitrobenzofurazan,2,1,3-benzoxadiazole, 4-chloro-7-nitro,nbd-chloride,nbd-c 1,1-chloro-4-nitrobenzoxadiazole,4-nitro-7-chlorobenzofurazan |
| IUPAC Name | 4-chloro-7-nitro-2,1,3-benzoxadiazole |
| InChI Key | IGHBXJSNZCFXNK-UHFFFAOYSA-N |
| Molecular Formula | C6H2ClN3O3 |
Chromone-3-carboxylic acid, 98%
CAS: 39079-62-4 Molecular Formula: C10H6O4 Molecular Weight (g/mol): 190.154 MDL Number: MFCD00017338 InChI Key: PCIITXGDSHXTSN-UHFFFAOYSA-N Synonym: chromone-3-carboxylic acid,4-oxo-4h-chromene-3-carboxylic acid,4-oxo-4h-1-benzopyran-3-carboxylic acid,maybridge1_005842,3-carboxychromone,d04tgn,acmc-1ad65,4-oxo-chromene-3-carboxylic acid,4h-chromen-4-one-3-carboxylic acid PubChem CID: 181620 IUPAC Name: 4-oxochromene-3-carboxylic acid SMILES: C1=CC=C2C(=C1)C(=O)C(=CO2)C(=O)O
| PubChem CID | 181620 |
|---|---|
| CAS | 39079-62-4 |
| Molecular Weight (g/mol) | 190.154 |
| MDL Number | MFCD00017338 |
| SMILES | C1=CC=C2C(=C1)C(=O)C(=CO2)C(=O)O |
| Synonym | chromone-3-carboxylic acid,4-oxo-4h-chromene-3-carboxylic acid,4-oxo-4h-1-benzopyran-3-carboxylic acid,maybridge1_005842,3-carboxychromone,d04tgn,acmc-1ad65,4-oxo-chromene-3-carboxylic acid,4h-chromen-4-one-3-carboxylic acid |
| IUPAC Name | 4-oxochromene-3-carboxylic acid |
| InChI Key | PCIITXGDSHXTSN-UHFFFAOYSA-N |
| Molecular Formula | C10H6O4 |
1-Ethylpyridinium bromide, 99%
CAS: 1906-79-2 Molecular Formula: C7H10BrN Molecular Weight (g/mol): 188.068 MDL Number: MFCD00041999 InChI Key: ABFDKXBSQCTIKH-UHFFFAOYSA-M Synonym: 1-ethylpyridinium bromide,1-ethylpyridin-1-ium bromide,ethylpyridinium bromide,pyridinium, 1-ethyl-, bromide,n-ethylpyridinium bromide,pyridinium, 1-ethyl-, bromide 1:1,pyridineethobromide,ethylpyridiniumbromide,1-ethyl-pyridiniubromide,n-ethyl pyridinium bromide PubChem CID: 15927 IUPAC Name: 1-ethylpyridin-1-ium;bromide SMILES: CC[N+]1=CC=CC=C1.[Br-]
| PubChem CID | 15927 |
|---|---|
| CAS | 1906-79-2 |
| Molecular Weight (g/mol) | 188.068 |
| MDL Number | MFCD00041999 |
| SMILES | CC[N+]1=CC=CC=C1.[Br-] |
| Synonym | 1-ethylpyridinium bromide,1-ethylpyridin-1-ium bromide,ethylpyridinium bromide,pyridinium, 1-ethyl-, bromide,n-ethylpyridinium bromide,pyridinium, 1-ethyl-, bromide 1:1,pyridineethobromide,ethylpyridiniumbromide,1-ethyl-pyridiniubromide,n-ethyl pyridinium bromide |
| IUPAC Name | 1-ethylpyridin-1-ium;bromide |
| InChI Key | ABFDKXBSQCTIKH-UHFFFAOYSA-M |
| Molecular Formula | C7H10BrN |
(R)-(+)-Styrene oxide, 98%
CAS: 20780-53-4 Molecular Formula: C8H8O Molecular Weight (g/mol): 120.15 MDL Number: MFCD00066210 InChI Key: AWMVMTVKBNGEAK-QMMMGPOBSA-N Synonym: r-styrene oxide,r-phenyloxirane,r-+-styrene oxide,r-2-phenyloxirane,2r-2-phenyloxirane,r-epoxyethyl benzene,oxirane, phenyl-, 2r,benzene, epoxyethyl-, r PubChem CID: 114705 ChEBI: CHEBI:45389 IUPAC Name: (2R)-2-phenyloxirane SMILES: C1O[C@@H]1C1=CC=CC=C1
| PubChem CID | 114705 |
|---|---|
| CAS | 20780-53-4 |
| Molecular Weight (g/mol) | 120.15 |
| ChEBI | CHEBI:45389 |
| MDL Number | MFCD00066210 |
| SMILES | C1O[C@@H]1C1=CC=CC=C1 |
| Synonym | r-styrene oxide,r-phenyloxirane,r-+-styrene oxide,r-2-phenyloxirane,2r-2-phenyloxirane,r-epoxyethyl benzene,oxirane, phenyl-, 2r,benzene, epoxyethyl-, r |
| IUPAC Name | (2R)-2-phenyloxirane |
| InChI Key | AWMVMTVKBNGEAK-QMMMGPOBSA-N |
| Molecular Formula | C8H8O |
9(10H)-Acridone, 99%
CAS: 578-95-0 Molecular Formula: C13H9NO Molecular Weight (g/mol): 195.221 MDL Number: MFCD00005019 InChI Key: FZEYVTFCMJSGMP-UHFFFAOYSA-N Synonym: acridone,9 10h-acridone,acridin-9 10h-one,9-acridone,9 10h-acridinone,acridanone,9-acridanone,acridin-9-one,9-acridinol,9,10-dihydro-9-oxoacridine PubChem CID: 2015 ChEBI: CHEBI:50756 IUPAC Name: 10H-acridin-9-one SMILES: C1=CC=C2C(=C1)C(=O)C3=CC=CC=C3N2
| PubChem CID | 2015 |
|---|---|
| CAS | 578-95-0 |
| Molecular Weight (g/mol) | 195.221 |
| ChEBI | CHEBI:50756 |
| MDL Number | MFCD00005019 |
| SMILES | C1=CC=C2C(=C1)C(=O)C3=CC=CC=C3N2 |
| Synonym | acridone,9 10h-acridone,acridin-9 10h-one,9-acridone,9 10h-acridinone,acridanone,9-acridanone,acridin-9-one,9-acridinol,9,10-dihydro-9-oxoacridine |
| IUPAC Name | 10H-acridin-9-one |
| InChI Key | FZEYVTFCMJSGMP-UHFFFAOYSA-N |
| Molecular Formula | C13H9NO |
3,5-Dimethylisoxazole-4-carboxylic acid, 99%
CAS: 2510-36-3 Molecular Formula: C6H7NO3 Molecular Weight (g/mol): 141.126 MDL Number: MFCD00051657 InChI Key: IJEUISLJVBUNRE-UHFFFAOYSA-N Synonym: 3,5-dimethylisoxazole-4-carboxylic acid,3,5-dimethylisoxasole-4-carboxylic acid,4-isoxazolecarboxylic acid, 3,5-dimethyl,dimethyl-1,2-oxazole-4-carboxylic acid,3,5-dimethyl-4-isoxazolecarboxylic acid,3,5-dimethyl-isoxazole-4-carboxylic acid,3,5-dimethylisoxazole-4-carboxylicacid,pubchem8774,akos pao-1555 PubChem CID: 75636 IUPAC Name: 3,5-dimethyl-1,2-oxazole-4-carboxylic acid SMILES: CC1=C(C(=NO1)C)C(=O)O
| PubChem CID | 75636 |
|---|---|
| CAS | 2510-36-3 |
| Molecular Weight (g/mol) | 141.126 |
| MDL Number | MFCD00051657 |
| SMILES | CC1=C(C(=NO1)C)C(=O)O |
| Synonym | 3,5-dimethylisoxazole-4-carboxylic acid,3,5-dimethylisoxasole-4-carboxylic acid,4-isoxazolecarboxylic acid, 3,5-dimethyl,dimethyl-1,2-oxazole-4-carboxylic acid,3,5-dimethyl-4-isoxazolecarboxylic acid,3,5-dimethyl-isoxazole-4-carboxylic acid,3,5-dimethylisoxazole-4-carboxylicacid,pubchem8774,akos pao-1555 |
| IUPAC Name | 3,5-dimethyl-1,2-oxazole-4-carboxylic acid |
| InChI Key | IJEUISLJVBUNRE-UHFFFAOYSA-N |
| Molecular Formula | C6H7NO3 |
4-Amino-2,6-dichloropyridine, 98+%, Thermo Scientific Chemicals
CAS: 2587-02-2 Molecular Formula: C5H5Cl2N2 Molecular Weight (g/mol): 164.01 MDL Number: MFCD00052832 InChI Key: WAEZOSSWRXDWAX-UHFFFAOYSA-O Synonym: 4-amino-2,6-dichloropyridine,2,6-dichloro-4-aminopyridine,2,6-dichloro-pyridin-4-ylamine,4-pyridinamine, 2,6-dichloro,2,6-dichloro-4-pyridylamine,2,6-dichloropyridin-4-ylamine,2,6-dichloro-4-amino pyridine,2,6-dichloro-4-pyridinamine,pubchem5530,acmc-1cot2 PubChem CID: 137652 IUPAC Name: 2,6-dichloropyridin-4-amine SMILES: C1=C(C=C(N=C1Cl)Cl)N
| PubChem CID | 137652 |
|---|---|
| CAS | 2587-02-2 |
| Molecular Weight (g/mol) | 164.01 |
| MDL Number | MFCD00052832 |
| SMILES | C1=C(C=C(N=C1Cl)Cl)N |
| Synonym | 4-amino-2,6-dichloropyridine,2,6-dichloro-4-aminopyridine,2,6-dichloro-pyridin-4-ylamine,4-pyridinamine, 2,6-dichloro,2,6-dichloro-4-pyridylamine,2,6-dichloropyridin-4-ylamine,2,6-dichloro-4-amino pyridine,2,6-dichloro-4-pyridinamine,pubchem5530,acmc-1cot2 |
| IUPAC Name | 2,6-dichloropyridin-4-amine |
| InChI Key | WAEZOSSWRXDWAX-UHFFFAOYSA-O |
| Molecular Formula | C5H5Cl2N2 |
2-Amino-3-nitropyridine, 99%
CAS: 4214-75-9 Molecular Formula: C5H5N3O2 Molecular Weight (g/mol): 139.11 MDL Number: MFCD00006314 InChI Key: BPYHGTCRXDWOIQ-UHFFFAOYSA-N Synonym: 2-amino-3-nitropyridine,3-nitro-2-aminopyridine,2-pyridinamine, 3-nitro,3-nitropyridin-2-ylamine,3-nitro-pyridin-2-ylamine,pyridine, 2-amino-3-nitro,2-amino3-nitropyridine,3-nitro-2-pyridinamine,2-amino-3-nitro pyridine,3-nitro-2-pyridylamine PubChem CID: 77887 IUPAC Name: 3-nitropyridin-2-amine SMILES: NC1=NC=CC=C1[N+]([O-])=O
| PubChem CID | 77887 |
|---|---|
| CAS | 4214-75-9 |
| Molecular Weight (g/mol) | 139.11 |
| MDL Number | MFCD00006314 |
| SMILES | NC1=NC=CC=C1[N+]([O-])=O |
| Synonym | 2-amino-3-nitropyridine,3-nitro-2-aminopyridine,2-pyridinamine, 3-nitro,3-nitropyridin-2-ylamine,3-nitro-pyridin-2-ylamine,pyridine, 2-amino-3-nitro,2-amino3-nitropyridine,3-nitro-2-pyridinamine,2-amino-3-nitro pyridine,3-nitro-2-pyridylamine |
| IUPAC Name | 3-nitropyridin-2-amine |
| InChI Key | BPYHGTCRXDWOIQ-UHFFFAOYSA-N |
| Molecular Formula | C5H5N3O2 |
cis-4-Cyclohexene-1,2-dicarboxylic anhydride, 95%
CAS: 935-79-5 Molecular Formula: C8H8O3 Molecular Weight (g/mol): 152.149 MDL Number: MFCD00005916 InChI Key: KMOUUZVZFBCRAM-OLQVQODUSA-N Synonym: cis-1,2,3,6-tetrahydrophthalic anhydride,cis-4-cyclohexene-1,2-dicarboxylic anhydride,3ar,7as-rel-3a,4,7,7a-tetrahydroisobenzofuran-1,3-dione,unii-w9q4666nos,cis-3a,4,7,7a-tetrahydro-1,3-isobenzofurandione,1,3-isobenzofurandione, 3a,4,7,7a-tetrahydro-, 3ar,7as-rel,1,3-isobenzofurandione, 3a,4,7,7a-tetrahydro-, cis,3ar,7as-3a,4,7,7a-tetrahydroisobenzofuran-1,3-dione,tetrahydrophthalic anhydride, cis,3as,7ar-3a,4,7,7a-tetrahydroisobenzofuran-1,3-dione PubChem CID: 98495 IUPAC Name: (3aS,7aR)-3a,4,7,7a-tetrahydro-2-benzofuran-1,3-dione SMILES: C1C=CCC2C1C(=O)OC2=O
| PubChem CID | 98495 |
|---|---|
| CAS | 935-79-5 |
| Molecular Weight (g/mol) | 152.149 |
| MDL Number | MFCD00005916 |
| SMILES | C1C=CCC2C1C(=O)OC2=O |
| Synonym | cis-1,2,3,6-tetrahydrophthalic anhydride,cis-4-cyclohexene-1,2-dicarboxylic anhydride,3ar,7as-rel-3a,4,7,7a-tetrahydroisobenzofuran-1,3-dione,unii-w9q4666nos,cis-3a,4,7,7a-tetrahydro-1,3-isobenzofurandione,1,3-isobenzofurandione, 3a,4,7,7a-tetrahydro-, 3ar,7as-rel,1,3-isobenzofurandione, 3a,4,7,7a-tetrahydro-, cis,3ar,7as-3a,4,7,7a-tetrahydroisobenzofuran-1,3-dione,tetrahydrophthalic anhydride, cis,3as,7ar-3a,4,7,7a-tetrahydroisobenzofuran-1,3-dione |
| IUPAC Name | (3aS,7aR)-3a,4,7,7a-tetrahydro-2-benzofuran-1,3-dione |
| InChI Key | KMOUUZVZFBCRAM-OLQVQODUSA-N |
| Molecular Formula | C8H8O3 |
2-n-Octylthiophene, 98%
CAS: 880-36-4 Molecular Formula: C12H20S Molecular Weight (g/mol): 196.352 MDL Number: MFCD00041015 InChI Key: GIFWAJGKWIDXMY-UHFFFAOYSA-N Synonym: 2-n-octylthiophene,thiophene, 2-octyl,octylthiophene,acmc-209qqw PubChem CID: 70153 IUPAC Name: 2-octylthiophene SMILES: CCCCCCCCC1=CC=CS1
| PubChem CID | 70153 |
|---|---|
| CAS | 880-36-4 |
| Molecular Weight (g/mol) | 196.352 |
| MDL Number | MFCD00041015 |
| SMILES | CCCCCCCCC1=CC=CS1 |
| Synonym | 2-n-octylthiophene,thiophene, 2-octyl,octylthiophene,acmc-209qqw |
| IUPAC Name | 2-octylthiophene |
| InChI Key | GIFWAJGKWIDXMY-UHFFFAOYSA-N |
| Molecular Formula | C12H20S |
2-Nitrothiophene, tech. 85%
CAS: 609-40-5 Molecular Formula: C4H3NO2S Molecular Weight (g/mol): 129.133 MDL Number: MFCD00005425 InChI Key: JIZRGGUCOQKGQD-UHFFFAOYSA-N Synonym: thiophene, 2-nitro,2-nitro-thiophene,2-nitro thiophene,2-nitrothiophene, tech,nitrothiophene,2-nitrothiofene,pubchem5570,2-nitrothiophene, tech.,acmc-1aw2t,wln: t5sj bnw PubChem CID: 11866 IUPAC Name: 2-nitrothiophene SMILES: C1=CSC(=C1)[N+](=O)[O-]
| PubChem CID | 11866 |
|---|---|
| CAS | 609-40-5 |
| Molecular Weight (g/mol) | 129.133 |
| MDL Number | MFCD00005425 |
| SMILES | C1=CSC(=C1)[N+](=O)[O-] |
| Synonym | thiophene, 2-nitro,2-nitro-thiophene,2-nitro thiophene,2-nitrothiophene, tech,nitrothiophene,2-nitrothiofene,pubchem5570,2-nitrothiophene, tech.,acmc-1aw2t,wln: t5sj bnw |
| IUPAC Name | 2-nitrothiophene |
| InChI Key | JIZRGGUCOQKGQD-UHFFFAOYSA-N |
| Molecular Formula | C4H3NO2S |
4,5-Dibromothiophene-2-carboxaldehyde, 98%
CAS: 38071-22-6 Molecular Formula: C5H2Br2OS Molecular Weight (g/mol): 269.938 MDL Number: MFCD00225242 InChI Key: CHRAVDVWAPGZOY-UHFFFAOYSA-N Synonym: 4,5-dibromothiophene-2-carboxaldehyde,acmc-1afpx,4,5-dibromo-2-thenaldehyde,4,5-dibromo-2-formylthiophene,4,5-dibromo-2-thiophenecarbaldehyde PubChem CID: 813164 IUPAC Name: 4,5-dibromothiophene-2-carbaldehyde SMILES: C1=C(SC(=C1Br)Br)C=O
| PubChem CID | 813164 |
|---|---|
| CAS | 38071-22-6 |
| Molecular Weight (g/mol) | 269.938 |
| MDL Number | MFCD00225242 |
| SMILES | C1=C(SC(=C1Br)Br)C=O |
| Synonym | 4,5-dibromothiophene-2-carboxaldehyde,acmc-1afpx,4,5-dibromo-2-thenaldehyde,4,5-dibromo-2-formylthiophene,4,5-dibromo-2-thiophenecarbaldehyde |
| IUPAC Name | 4,5-dibromothiophene-2-carbaldehyde |
| InChI Key | CHRAVDVWAPGZOY-UHFFFAOYSA-N |
| Molecular Formula | C5H2Br2OS |
Ethyl 5-bromonicotinate, 98%
CAS: 20986-40-7 Molecular Formula: C8H8BrNO2 Molecular Weight (g/mol): 230.061 MDL Number: MFCD00040366 InChI Key: PCPIANOJERKFJI-UHFFFAOYSA-N Synonym: ethyl 5-bromonicotinate,5-bromonicotinic acid ethyl ester,ethyl 5-bromo-3-pyridinecarboxylate,3-pyridinecarboxylic acid, 5-bromo-, ethyl ester,5-bromo-3-pyridinecarboxylic acid ethyl ester,ethyl5-bromonicotinate,5-bromo nicotinic acid ethyl ester,5-bromo-nicotinic acid ethyl ester,ethyl 3-bromo-5-pyridinecarboxylate,3-bromo-5-pyridine-carboxylic acid ethyl ester PubChem CID: 140785 IUPAC Name: ethyl 5-bromopyridine-3-carboxylate SMILES: CCOC(=O)C1=CC(=CN=C1)Br
| PubChem CID | 140785 |
|---|---|
| CAS | 20986-40-7 |
| Molecular Weight (g/mol) | 230.061 |
| MDL Number | MFCD00040366 |
| SMILES | CCOC(=O)C1=CC(=CN=C1)Br |
| Synonym | ethyl 5-bromonicotinate,5-bromonicotinic acid ethyl ester,ethyl 5-bromo-3-pyridinecarboxylate,3-pyridinecarboxylic acid, 5-bromo-, ethyl ester,5-bromo-3-pyridinecarboxylic acid ethyl ester,ethyl5-bromonicotinate,5-bromo nicotinic acid ethyl ester,5-bromo-nicotinic acid ethyl ester,ethyl 3-bromo-5-pyridinecarboxylate,3-bromo-5-pyridine-carboxylic acid ethyl ester |
| IUPAC Name | ethyl 5-bromopyridine-3-carboxylate |
| InChI Key | PCPIANOJERKFJI-UHFFFAOYSA-N |
| Molecular Formula | C8H8BrNO2 |
Benzo[b]furan, 97+%
CAS: 271-89-6 Molecular Formula: C8H6O Molecular Weight (g/mol): 118.14 MDL Number: MFCD00005847 InChI Key: IANQTJSKSUMEQM-UHFFFAOYSA-N Synonym: benzofuran,2,3-benzofuran,coumarone,benzo b furan,cumarone,benzofurfuran,1-oxindene,coumaron,1-oxidene PubChem CID: 9223 ChEBI: CHEBI:35260 IUPAC Name: 1-benzofuran SMILES: O1C=CC2=CC=CC=C12
| PubChem CID | 9223 |
|---|---|
| CAS | 271-89-6 |
| Molecular Weight (g/mol) | 118.14 |
| ChEBI | CHEBI:35260 |
| MDL Number | MFCD00005847 |
| SMILES | O1C=CC2=CC=CC=C12 |
| Synonym | benzofuran,2,3-benzofuran,coumarone,benzo b furan,cumarone,benzofurfuran,1-oxindene,coumaron,1-oxidene |
| IUPAC Name | 1-benzofuran |
| InChI Key | IANQTJSKSUMEQM-UHFFFAOYSA-N |
| Molecular Formula | C8H6O |
2-Coumaranone, 97%
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 |