Organoheterocyclic compounds
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TraceCERT™ Base-Neut Surrogate Spike Mix, Certified Reference Material, MilliporeSigma™ Supelco™
This certified reference material (CRM) is produced and certified in accordance with ISO/IEC 17025 and ISO 17034. This CRM is traceable to the SI through a primary reference material from a NMI. Certified content incl. uncertainty and expiry date are stated on the enclosed certificate.
3,5-Dichloro-2,4,6-trifluoropyridine, 98%, Thermo Scientific™
CAS: 1737-93-5 Molecular Formula: C5Cl2F3N Molecular Weight (g/mol): 201.96 InChI Key: PKSORSNCSXBXOT-UHFFFAOYSA-N Synonym: 2,4,6-trifluoro-3,5-dichloropyridine,pyridine, 3,5-dichloro-2,4,6-trifluoro,3,5-dichlorotrifluoropyridine,2,6-dichloro-1,3,5-trifluorobenzene,3,5-dichloro-2,4-6-trifluoropyridine,2,4,6-trifluoro-3,5-dichloro pyridine,3,5-dichloro-2,4,6-trifluoro-pyridine,ablock ab-12-8020,pubchem5003,acmc-1boj6 PubChem CID: 61273 IUPAC Name: 3,5-dichloro-2,4,6-trifluoropyridine SMILES: C1(=C(C(=NC(=C1Cl)F)F)Cl)F
| PubChem CID | 61273 |
|---|---|
| CAS | 1737-93-5 |
| Molecular Weight (g/mol) | 201.96 |
| SMILES | C1(=C(C(=NC(=C1Cl)F)F)Cl)F |
| Synonym | 2,4,6-trifluoro-3,5-dichloropyridine,pyridine, 3,5-dichloro-2,4,6-trifluoro,3,5-dichlorotrifluoropyridine,2,6-dichloro-1,3,5-trifluorobenzene,3,5-dichloro-2,4-6-trifluoropyridine,2,4,6-trifluoro-3,5-dichloro pyridine,3,5-dichloro-2,4,6-trifluoro-pyridine,ablock ab-12-8020,pubchem5003,acmc-1boj6 |
| IUPAC Name | 3,5-dichloro-2,4,6-trifluoropyridine |
| InChI Key | PKSORSNCSXBXOT-UHFFFAOYSA-N |
| Molecular Formula | C5Cl2F3N |
2-Chloropyridine-4-boronic acid pinacol ester, 97%, Thermo Scientific™
CAS: 458532-84-8 Molecular Formula: C11H15BClNO2 Molecular Weight (g/mol): 239.506 MDL Number: MFCD04039870 InChI Key: UUEQDBHKMOFLDP-UHFFFAOYSA-N Synonym: 2-chloro-4-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl pyridine,2-chloropyridine-4-boronic acid pinacol ester,2-chloro-4-tetramethyl-1,3,2-dioxaborolan-2-yl pyridine,2-chloropyridin-4-ylboronic acid pinacol ester,2-chloro-4-4,4,5,5-tetramethyl-1,3,2 dioxaborolan-2-yl-pyridine,2-chloropyridine-4-boronic acid, pinacol ester,2-chloro-4-4,4,5,5-tetramethyl-1,3,2 dioxaborolan-2-yl pyridine,2-chloro-4-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl-pyridine,pyridine, 2-chloro-4-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl,pubchem16684 PubChem CID: 5103408 IUPAC Name: 2-chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine SMILES: B1(OC(C(O1)(C)C)(C)C)C2=CC(=NC=C2)Cl
| PubChem CID | 5103408 |
|---|---|
| CAS | 458532-84-8 |
| Molecular Weight (g/mol) | 239.506 |
| MDL Number | MFCD04039870 |
| SMILES | B1(OC(C(O1)(C)C)(C)C)C2=CC(=NC=C2)Cl |
| Synonym | 2-chloro-4-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl pyridine,2-chloropyridine-4-boronic acid pinacol ester,2-chloro-4-tetramethyl-1,3,2-dioxaborolan-2-yl pyridine,2-chloropyridin-4-ylboronic acid pinacol ester,2-chloro-4-4,4,5,5-tetramethyl-1,3,2 dioxaborolan-2-yl-pyridine,2-chloropyridine-4-boronic acid, pinacol ester,2-chloro-4-4,4,5,5-tetramethyl-1,3,2 dioxaborolan-2-yl pyridine,2-chloro-4-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl-pyridine,pyridine, 2-chloro-4-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl,pubchem16684 |
| IUPAC Name | 2-chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine |
| InChI Key | UUEQDBHKMOFLDP-UHFFFAOYSA-N |
| Molecular Formula | C11H15BClNO2 |
Iminostilbene, 97%
CAS: 256-96-2 Molecular Formula: C14H11N Molecular Weight (g/mol): 193.249 MDL Number: MFCD00005071 InChI Key: LCGTWRLJTMHIQZ-UHFFFAOYSA-N Synonym: iminostilbene,5h-dibenzo b,f azepine,5h-dibenz b,f azepine,2,2'-iminostilbene,dibenz b,f azepine,2,3,6,7-dibenzazepine,stilbene, 2,2'-imino PubChem CID: 9212 ChEBI: CHEBI:47802 IUPAC Name: 11H-benzo[b][1]benzazepine SMILES: C1=CC=C2C(=C1)C=CC3=CC=CC=C3N2
| PubChem CID | 9212 |
|---|---|
| CAS | 256-96-2 |
| Molecular Weight (g/mol) | 193.249 |
| ChEBI | CHEBI:47802 |
| MDL Number | MFCD00005071 |
| SMILES | C1=CC=C2C(=C1)C=CC3=CC=CC=C3N2 |
| Synonym | iminostilbene,5h-dibenzo b,f azepine,5h-dibenz b,f azepine,2,2'-iminostilbene,dibenz b,f azepine,2,3,6,7-dibenzazepine,stilbene, 2,2'-imino |
| IUPAC Name | 11H-benzo[b][1]benzazepine |
| InChI Key | LCGTWRLJTMHIQZ-UHFFFAOYSA-N |
| Molecular Formula | C14H11N |
1-Methyl-1H-pyrazole-3-sulfonyl chloride, 97%, Thermo Scientific™
CAS: 89501-90-6 Molecular Formula: C4H5ClN2O2S Molecular Weight (g/mol): 180.606 MDL Number: MFCD08690273 InChI Key: TWLAHGNFQBQYEL-UHFFFAOYSA-N Synonym: 1-methyl-1h-pyrazole-3-sulfonyl chloride,1-methyl-1h-pyrazole-3-sulfonylchloride,1h-pyrazole-3-sulfonyl chloride, 1-methyl,1h-pyrazole-3-sulfonylchloride, 1-methyl,pubchem14132,acmc-209zg6,n-methylpyrazole sulfonyl chloride,chloro 1-methylpyrazol-3-yl sulfone,1-methyl-3-pyrazolesulfonyl chloride,methyl-1-h-pyrazole-3-sulfonyl chloride PubChem CID: 13474466 IUPAC Name: 1-methylpyrazole-3-sulfonyl chloride SMILES: CN1C=CC(=N1)S(=O)(=O)Cl
| PubChem CID | 13474466 |
|---|---|
| CAS | 89501-90-6 |
| Molecular Weight (g/mol) | 180.606 |
| MDL Number | MFCD08690273 |
| SMILES | CN1C=CC(=N1)S(=O)(=O)Cl |
| Synonym | 1-methyl-1h-pyrazole-3-sulfonyl chloride,1-methyl-1h-pyrazole-3-sulfonylchloride,1h-pyrazole-3-sulfonyl chloride, 1-methyl,1h-pyrazole-3-sulfonylchloride, 1-methyl,pubchem14132,acmc-209zg6,n-methylpyrazole sulfonyl chloride,chloro 1-methylpyrazol-3-yl sulfone,1-methyl-3-pyrazolesulfonyl chloride,methyl-1-h-pyrazole-3-sulfonyl chloride |
| IUPAC Name | 1-methylpyrazole-3-sulfonyl chloride |
| InChI Key | TWLAHGNFQBQYEL-UHFFFAOYSA-N |
| Molecular Formula | C4H5ClN2O2S |
3-Cyano-2-hydroxy-4,6-dimethylpyridine, 98%
CAS: 769-28-8 Molecular Formula: C8H8N2O Molecular Weight (g/mol): 148.165 MDL Number: MFCD00006269 InChI Key: OCYMJCILWYHKAU-UHFFFAOYSA-N Synonym: 2-hydroxy-4,6-dimethylnicotinonitrile,3-cyano-4,6-dimethyl-2-hydroxypyridine,4,6-dimethyl-2-oxo-1,2-dihydropyridine-3-carbonitrile,2-hydroxy-4,6-dimethylpyridine-3-carbonitrile,unii-ots4s2r79e,4,6-dimethyl-2-hydroxynicotinonitrile,3-pyridinecarbonitrile, 1,2-dihydro-4,6-dimethyl-2-oxo,3-cyano-2-hydroxy-4,6-dimethylpyridine,nicotinonitrile, 1,2-dihydro-4,6-dimethyl-2-oxo,ots4s2r79e PubChem CID: 69856 IUPAC Name: 4,6-dimethyl-2-oxo-1H-pyridine-3-carbonitrile SMILES: CC1=CC(=C(C(=O)N1)C#N)C
| PubChem CID | 69856 |
|---|---|
| CAS | 769-28-8 |
| Molecular Weight (g/mol) | 148.165 |
| MDL Number | MFCD00006269 |
| SMILES | CC1=CC(=C(C(=O)N1)C#N)C |
| Synonym | 2-hydroxy-4,6-dimethylnicotinonitrile,3-cyano-4,6-dimethyl-2-hydroxypyridine,4,6-dimethyl-2-oxo-1,2-dihydropyridine-3-carbonitrile,2-hydroxy-4,6-dimethylpyridine-3-carbonitrile,unii-ots4s2r79e,4,6-dimethyl-2-hydroxynicotinonitrile,3-pyridinecarbonitrile, 1,2-dihydro-4,6-dimethyl-2-oxo,3-cyano-2-hydroxy-4,6-dimethylpyridine,nicotinonitrile, 1,2-dihydro-4,6-dimethyl-2-oxo,ots4s2r79e |
| IUPAC Name | 4,6-dimethyl-2-oxo-1H-pyridine-3-carbonitrile |
| InChI Key | OCYMJCILWYHKAU-UHFFFAOYSA-N |
| Molecular Formula | C8H8N2O |
4-[2-(Chloromethyl)-4-(trifluoromethyl)phenyl]morpholine, 97%, Thermo Scientific™
CAS: 892502-15-7 Molecular Formula: C12H13ClF3NO Molecular Weight (g/mol): 279.687 MDL Number: MFCD09025889 InChI Key: KCGVSWOLBMMCMW-UHFFFAOYSA-N Synonym: 4-2-chloromethyl-4-trifluoromethyl phenyl morpholine,morpholine,4-2-chloromethyl-4-trifluoromethyl phenyl PubChem CID: 18525887 IUPAC Name: 4-[2-(chloromethyl)-4-(trifluoromethyl)phenyl]morpholine SMILES: C1COCCN1C2=C(C=C(C=C2)C(F)(F)F)CCl
| PubChem CID | 18525887 |
|---|---|
| CAS | 892502-15-7 |
| Molecular Weight (g/mol) | 279.687 |
| MDL Number | MFCD09025889 |
| SMILES | C1COCCN1C2=C(C=C(C=C2)C(F)(F)F)CCl |
| Synonym | 4-2-chloromethyl-4-trifluoromethyl phenyl morpholine,morpholine,4-2-chloromethyl-4-trifluoromethyl phenyl |
| IUPAC Name | 4-[2-(chloromethyl)-4-(trifluoromethyl)phenyl]morpholine |
| InChI Key | KCGVSWOLBMMCMW-UHFFFAOYSA-N |
| Molecular Formula | C12H13ClF3NO |
N-(4-Bromophenyl)maleimide, 98%
CAS: 13380-67-1 Molecular Formula: C10H6BrNO2 Molecular Weight (g/mol): 252.067 MDL Number: MFCD00030664 InChI Key: FECSFBYOMHWJQG-UHFFFAOYSA-N Synonym: n-4-bromophenyl maleimide,1-4-bromophenyl-1h-pyrrole-2,5-dione,1-4-bromophenyl pyrrole-2,5-dione,1-4-bromophenyl-2,5-dioxo-pyrrole,1-4-bromophenyl maleimide,1-4-bromophenyl-2,5-dihydro-1h-pyrrole-2,5-dione,1-4-bromphenyl-1h-pyrrole-2,5-dione,1h-pyrrole-2,5-dione,1-4-bromophenyl,1h-pyrrole-2,5-dione, 1-4-bromophenyl,1-4-bromophenyl azoline-2,5-dione PubChem CID: 123301 IUPAC Name: 1-(4-bromophenyl)pyrrole-2,5-dione SMILES: C1=CC(=CC=C1N2C(=O)C=CC2=O)Br
| PubChem CID | 123301 |
|---|---|
| CAS | 13380-67-1 |
| Molecular Weight (g/mol) | 252.067 |
| MDL Number | MFCD00030664 |
| SMILES | C1=CC(=CC=C1N2C(=O)C=CC2=O)Br |
| Synonym | n-4-bromophenyl maleimide,1-4-bromophenyl-1h-pyrrole-2,5-dione,1-4-bromophenyl pyrrole-2,5-dione,1-4-bromophenyl-2,5-dioxo-pyrrole,1-4-bromophenyl maleimide,1-4-bromophenyl-2,5-dihydro-1h-pyrrole-2,5-dione,1-4-bromphenyl-1h-pyrrole-2,5-dione,1h-pyrrole-2,5-dione,1-4-bromophenyl,1h-pyrrole-2,5-dione, 1-4-bromophenyl,1-4-bromophenyl azoline-2,5-dione |
| IUPAC Name | 1-(4-bromophenyl)pyrrole-2,5-dione |
| InChI Key | FECSFBYOMHWJQG-UHFFFAOYSA-N |
| Molecular Formula | C10H6BrNO2 |
1-Benzothiophene-2-carbaldehyde, 97%, Thermo Scientific™
CAS: 3541-37-5 Molecular Formula: C9H6OS Molecular Weight (g/mol): 162.21 MDL Number: MFCD01075041 InChI Key: NXSVNPSWARVMAY-UHFFFAOYSA-N Synonym: benzo b thiophene-2-carboxaldehyde,benzo b thiophene-2-carbaldehyde,thianaphthene-2-carboxaldehyde,benzothiophene-2-carboxaldehyde,acmc-209igo,2-formylbenzo b thiophene,2-benzothiophenecarbaldehyde,2-formyl-benzo b thiophene,benzothiophene-2-carbaldehyde,2-benzothiophenecarboxaldehyde PubChem CID: 736500 IUPAC Name: 1-benzothiophene-2-carbaldehyde SMILES: O=CC1=CC2=CC=CC=C2S1
| PubChem CID | 736500 |
|---|---|
| CAS | 3541-37-5 |
| Molecular Weight (g/mol) | 162.21 |
| MDL Number | MFCD01075041 |
| SMILES | O=CC1=CC2=CC=CC=C2S1 |
| Synonym | benzo b thiophene-2-carboxaldehyde,benzo b thiophene-2-carbaldehyde,thianaphthene-2-carboxaldehyde,benzothiophene-2-carboxaldehyde,acmc-209igo,2-formylbenzo b thiophene,2-benzothiophenecarbaldehyde,2-formyl-benzo b thiophene,benzothiophene-2-carbaldehyde,2-benzothiophenecarboxaldehyde |
| IUPAC Name | 1-benzothiophene-2-carbaldehyde |
| InChI Key | NXSVNPSWARVMAY-UHFFFAOYSA-N |
| Molecular Formula | C9H6OS |
1-(Cyanoacetyl)pyrrolidine, 98+%
CAS: 14227-95-3 Molecular Formula: C7H10N2O Molecular Weight (g/mol): 138.17 MDL Number: MFCD00020838 InChI Key: VEUDVNNBYYRZBV-UHFFFAOYSA-N Synonym: 1-cyanoacetyl pyrrolidine,3-oxo-3-pyrrolidin-1-yl propanenitrile,1-cyanoacetylpyrrolidine,3-oxo-3-1-pyrrolidinyl propanenitrile,pyrrolidine, 1-cyanoacetyl,1-pyrrolidinepropanenitrile,b-oxo,3-oxo-3-pyrrolidinylpropanenitrile,n-cyanoacetylpyrrolidine,acmc-20ak5f,oxopyrrolidinylpropanenitrile PubChem CID: 84272 IUPAC Name: 3-oxo-3-pyrrolidin-1-ylpropanenitrile SMILES: O=C(CC#N)N1CCCC1
| PubChem CID | 84272 |
|---|---|
| CAS | 14227-95-3 |
| Molecular Weight (g/mol) | 138.17 |
| MDL Number | MFCD00020838 |
| SMILES | O=C(CC#N)N1CCCC1 |
| Synonym | 1-cyanoacetyl pyrrolidine,3-oxo-3-pyrrolidin-1-yl propanenitrile,1-cyanoacetylpyrrolidine,3-oxo-3-1-pyrrolidinyl propanenitrile,pyrrolidine, 1-cyanoacetyl,1-pyrrolidinepropanenitrile,b-oxo,3-oxo-3-pyrrolidinylpropanenitrile,n-cyanoacetylpyrrolidine,acmc-20ak5f,oxopyrrolidinylpropanenitrile |
| IUPAC Name | 3-oxo-3-pyrrolidin-1-ylpropanenitrile |
| InChI Key | VEUDVNNBYYRZBV-UHFFFAOYSA-N |
| Molecular Formula | C7H10N2O |
5-Fluorobenzo[b]thiophene-2-carboxylic acid, 96%
CAS: 70060-13-8 Molecular Formula: C9H5FO2S Molecular Weight (g/mol): 196.195 MDL Number: MFCD01927184 InChI Key: PLVPMOSTGNZKQQ-UHFFFAOYSA-N Synonym: 5-fluorobenzo b thiophene-2-carboxylic acid,5-fluoro-benzo b thiophene-2-carboxylic acid,benzo b thiophene-2-carboxylicacid, 5-fluoro,2-carboxy-5-fluoro-1-benzothiophene,5-fluoro-2-benzo b thiophenecarboxylic acid,5-fluoro-2-benzo-b thiophenecarboxylic acid,5-fluorobenzothiophene-2-carboxylic acid,benzo b thiophene-2-carboxylic acid, 5-fluoro PubChem CID: 901439 IUPAC Name: 5-fluoro-1-benzothiophene-2-carboxylic acid SMILES: C1=CC2=C(C=C1F)C=C(S2)C(=O)O
| PubChem CID | 901439 |
|---|---|
| CAS | 70060-13-8 |
| Molecular Weight (g/mol) | 196.195 |
| MDL Number | MFCD01927184 |
| SMILES | C1=CC2=C(C=C1F)C=C(S2)C(=O)O |
| Synonym | 5-fluorobenzo b thiophene-2-carboxylic acid,5-fluoro-benzo b thiophene-2-carboxylic acid,benzo b thiophene-2-carboxylicacid, 5-fluoro,2-carboxy-5-fluoro-1-benzothiophene,5-fluoro-2-benzo b thiophenecarboxylic acid,5-fluoro-2-benzo-b thiophenecarboxylic acid,5-fluorobenzothiophene-2-carboxylic acid,benzo b thiophene-2-carboxylic acid, 5-fluoro |
| IUPAC Name | 5-fluoro-1-benzothiophene-2-carboxylic acid |
| InChI Key | PLVPMOSTGNZKQQ-UHFFFAOYSA-N |
| Molecular Formula | C9H5FO2S |
Benzimidazole-6-carbonitrile, 97%, Thermo Scientific Chemicals
CAS: 6287-83-8 Molecular Formula: C8H5N3 Molecular Weight (g/mol): 143.15 MDL Number: MFCD06809988 InChI Key: NICYTXJGZRYCEQ-UHFFFAOYSA-N Synonym: 1h-benzimidazole-5-carbonitrile,1h-benzo d imidazole-6-carbonitrile,1h-1,3-benzodiazole-5-carbonitrile,1h-benzo d imidazole-5-carbonitrile,5-cyanobenzimidazole,1h-benzimidazole-6-carbonitrile,5-benzimidazolecarbonitrile,benzimidazole-5-carbonitrile,1h-benzoimidazole-5-carbonitrile,3h-1,3-benzodiazole-5-carbonitrile PubChem CID: 223906 IUPAC Name: 1H-1,3-benzodiazole-6-carbonitrile SMILES: N#CC1=CC=C2N=CNC2=C1
| PubChem CID | 223906 |
|---|---|
| CAS | 6287-83-8 |
| Molecular Weight (g/mol) | 143.15 |
| MDL Number | MFCD06809988 |
| SMILES | N#CC1=CC=C2N=CNC2=C1 |
| Synonym | 1h-benzimidazole-5-carbonitrile,1h-benzo d imidazole-6-carbonitrile,1h-1,3-benzodiazole-5-carbonitrile,1h-benzo d imidazole-5-carbonitrile,5-cyanobenzimidazole,1h-benzimidazole-6-carbonitrile,5-benzimidazolecarbonitrile,benzimidazole-5-carbonitrile,1h-benzoimidazole-5-carbonitrile,3h-1,3-benzodiazole-5-carbonitrile |
| IUPAC Name | 1H-1,3-benzodiazole-6-carbonitrile |
| InChI Key | NICYTXJGZRYCEQ-UHFFFAOYSA-N |
| Molecular Formula | C8H5N3 |
5-Methyltryptamine, hydrochloride, 98%, Thermo Scientific™
Molecular Formula: C11H15N2 Molecular Weight (g/mol): 175.25 MDL Number: MFCD00012683 InChI Key: PYOUAIQXJALPKW-UHFFFAOYSA-O Synonym: 5-methyltryptamine hydrochloride,2-5-methyl-1h-indol-3-yl ethanamine hydrochloride,3-2-aminoethyl-5-methylindole hydrochloride,5-methyl-1h-indole-3-ethylamine monohydrochloride,5-methyltryptamine hcl,1h-indole-3-ethanamine, 5-methyl-, monohydrochloride,2-5-methylindol-3-yl ethylamine, chloride,5-methyltryptaminehydrochloride,5-methyl-1h-indole-3-ethylamine hcl,pubchem24287 PubChem CID: 6917145 SMILES: CC1=CC=C2NC=C(CC[NH3+])C2=C1
| PubChem CID | 6917145 |
|---|---|
| Molecular Weight (g/mol) | 175.25 |
| MDL Number | MFCD00012683 |
| SMILES | CC1=CC=C2NC=C(CC[NH3+])C2=C1 |
| Synonym | 5-methyltryptamine hydrochloride,2-5-methyl-1h-indol-3-yl ethanamine hydrochloride,3-2-aminoethyl-5-methylindole hydrochloride,5-methyl-1h-indole-3-ethylamine monohydrochloride,5-methyltryptamine hcl,1h-indole-3-ethanamine, 5-methyl-, monohydrochloride,2-5-methylindol-3-yl ethylamine, chloride,5-methyltryptaminehydrochloride,5-methyl-1h-indole-3-ethylamine hcl,pubchem24287 |
| InChI Key | PYOUAIQXJALPKW-UHFFFAOYSA-O |
| Molecular Formula | C11H15N2 |
4-Methoxy-3-pyrrolin-2-one, 99%
CAS: 69778-83-2 Molecular Formula: C5H7NO2 Molecular Weight (g/mol): 113.116 MDL Number: MFCD00071564 InChI Key: TXKQBYYDTLOLHA-UHFFFAOYSA-N Synonym: 4-methoxy-3-pyrrolin-2-one,4-methoxy-1h-pyrrol-2 5h-one,4-methoxy-1,5-dihydro-2h-pyrrol-2-one,4-methoxy-1,5-dihydropyrrol-2-one,2h-pyrrol-2-one, 1,5-dihydro-4-methoxy,4-methoxy-2,5-dihydro-1h-pyrrol-2-one,4-methoxy-1,5-dihydropyrro-2-one,1,5-dihydro-4-methoxy-2h-pyrrol-2-on,4-methoxy-3-pyrroline-2-one PubChem CID: 574769 IUPAC Name: 3-methoxy-1,2-dihydropyrrol-5-one SMILES: COC1=CC(=O)NC1
| PubChem CID | 574769 |
|---|---|
| CAS | 69778-83-2 |
| Molecular Weight (g/mol) | 113.116 |
| MDL Number | MFCD00071564 |
| SMILES | COC1=CC(=O)NC1 |
| Synonym | 4-methoxy-3-pyrrolin-2-one,4-methoxy-1h-pyrrol-2 5h-one,4-methoxy-1,5-dihydro-2h-pyrrol-2-one,4-methoxy-1,5-dihydropyrrol-2-one,2h-pyrrol-2-one, 1,5-dihydro-4-methoxy,4-methoxy-2,5-dihydro-1h-pyrrol-2-one,4-methoxy-1,5-dihydropyrro-2-one,1,5-dihydro-4-methoxy-2h-pyrrol-2-on,4-methoxy-3-pyrroline-2-one |
| IUPAC Name | 3-methoxy-1,2-dihydropyrrol-5-one |
| InChI Key | TXKQBYYDTLOLHA-UHFFFAOYSA-N |
| Molecular Formula | C5H7NO2 |
Benzo[d]isoxazol-3-ol, ≥95%, Thermo Scientific™
CAS: 21725-69-9 Molecular Formula: C7H5NO2 Molecular Weight (g/mol): 135.122 MDL Number: MFCD00125030 InChI Key: QLDQYRDCPNBPII-UHFFFAOYSA-N Synonym: benzo d isoxazol-3-ol,1,2-benzisoxazol-3 2h-one,1,2-benzoxazol-3-ol,1,2-benzisoxazol-3-ol,3-hydroxybenzisoxazole,3-hydroxy-1,2-benzisoxazole,1,2-benzisoxazolin-3-one,1,2-benzisoxazol-3-ol 8ci,2h-1,2-benzoxazol-3-one,benzisoxazolone PubChem CID: 210830 IUPAC Name: 1,2-benzoxazol-3-one SMILES: C1=CC=C2C(=C1)C(=O)NO2
| PubChem CID | 210830 |
|---|---|
| CAS | 21725-69-9 |
| Molecular Weight (g/mol) | 135.122 |
| MDL Number | MFCD00125030 |
| SMILES | C1=CC=C2C(=C1)C(=O)NO2 |
| Synonym | benzo d isoxazol-3-ol,1,2-benzisoxazol-3 2h-one,1,2-benzoxazol-3-ol,1,2-benzisoxazol-3-ol,3-hydroxybenzisoxazole,3-hydroxy-1,2-benzisoxazole,1,2-benzisoxazolin-3-one,1,2-benzisoxazol-3-ol 8ci,2h-1,2-benzoxazol-3-one,benzisoxazolone |
| IUPAC Name | 1,2-benzoxazol-3-one |
| InChI Key | QLDQYRDCPNBPII-UHFFFAOYSA-N |
| Molecular Formula | C7H5NO2 |