Organoheterocyclic compounds
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2-Phenylpyridine, 98%
CAS: 1008-89-5 Molecular Formula: C11H9N Molecular Weight (g/mol): 155.20 MDL Number: MFCD00006280,MFCD31699954 InChI Key: VQGHOUODWALEFC-UHFFFAOYSA-N Synonym: pyridine, 2-phenyl,o-phenylpyridine,pyridine, phenyl,2-phenyl-pyridine,phenyl pyridine,2-azabiphenyl,2-phenyl pyridine,2-phenylpyridine,pubchem13085,2-phenylpyridine???? PubChem CID: 13887 IUPAC Name: 2-phenylpyridine SMILES: C1=CC=C(C=C1)C1=CC=CC=N1
| PubChem CID | 13887 |
|---|---|
| CAS | 1008-89-5 |
| Molecular Weight (g/mol) | 155.20 |
| MDL Number | MFCD00006280,MFCD31699954 |
| SMILES | C1=CC=C(C=C1)C1=CC=CC=N1 |
| Synonym | pyridine, 2-phenyl,o-phenylpyridine,pyridine, phenyl,2-phenyl-pyridine,phenyl pyridine,2-azabiphenyl,2-phenyl pyridine,2-phenylpyridine,pubchem13085,2-phenylpyridine???? |
| IUPAC Name | 2-phenylpyridine |
| InChI Key | VQGHOUODWALEFC-UHFFFAOYSA-N |
| Molecular Formula | C11H9N |
(+/-)-Styrene oxide, 98+%
CAS: 96-09-3 Molecular Formula: C8H8O Molecular Weight (g/mol): 120.151 MDL Number: MFCD00005121 InChI Key: AWMVMTVKBNGEAK-UHFFFAOYSA-N Synonym: styrene oxide,phenyloxirane,1,2-epoxyethylbenzene,phenylethylene oxide,epoxystyrene,styrene epoxide,styryl oxide,oxirane, phenyl,1-phenyloxirane,phenethylene oxide PubChem CID: 7276 ChEBI: CHEBI:17907 IUPAC Name: 2-phenyloxirane SMILES: C1C(O1)C2=CC=CC=C2
| PubChem CID | 7276 |
|---|---|
| CAS | 96-09-3 |
| Molecular Weight (g/mol) | 120.151 |
| ChEBI | CHEBI:17907 |
| MDL Number | MFCD00005121 |
| SMILES | C1C(O1)C2=CC=CC=C2 |
| Synonym | styrene oxide,phenyloxirane,1,2-epoxyethylbenzene,phenylethylene oxide,epoxystyrene,styrene epoxide,styryl oxide,oxirane, phenyl,1-phenyloxirane,phenethylene oxide |
| IUPAC Name | 2-phenyloxirane |
| InChI Key | AWMVMTVKBNGEAK-UHFFFAOYSA-N |
| Molecular Formula | C8H8O |
| CAS | 3-2-3988 |
|---|
1-Cyanoacetyl-3,5-dimethyl-1H-pyrazole, 97%
CAS: 36140-83-7 Molecular Formula: C8H9N3O Molecular Weight (g/mol): 163.18 MDL Number: MFCD00051954 InChI Key: DDWZYWSLHBDVGR-UHFFFAOYSA-N Synonym: 1-cyanoacetyl-3,5-dimethylpyrazole,3-3,5-dimethyl-1h-pyrazol-1-yl-3-oxopropanenitrile,3-3,5-dimethylpyrazol-1-yl-3-oxopropanenitrile,1-cyanoacetyl-3,5-dimethyl-1h-pyrazole,3-3,5-dimethylpyrazolyl-3-oxopropanenitrile,cambridge id 5140887,1h-pyrazole-1-propanenitrile, 3,5-dimethyl-,a-oxo,1,cyanoacetyl-3,5-dimethylpyrazole,1h-pyrazole-1-propanenitrile, 3,5-dimethyl-beta-oxo PubChem CID: 262101 IUPAC Name: 3-(3,5-dimethylpyrazol-1-yl)-3-oxopropanenitrile SMILES: CC1=CC(=NN1C(=O)CC#N)C
| PubChem CID | 262101 |
|---|---|
| CAS | 36140-83-7 |
| Molecular Weight (g/mol) | 163.18 |
| MDL Number | MFCD00051954 |
| SMILES | CC1=CC(=NN1C(=O)CC#N)C |
| Synonym | 1-cyanoacetyl-3,5-dimethylpyrazole,3-3,5-dimethyl-1h-pyrazol-1-yl-3-oxopropanenitrile,3-3,5-dimethylpyrazol-1-yl-3-oxopropanenitrile,1-cyanoacetyl-3,5-dimethyl-1h-pyrazole,3-3,5-dimethylpyrazolyl-3-oxopropanenitrile,cambridge id 5140887,1h-pyrazole-1-propanenitrile, 3,5-dimethyl-,a-oxo,1,cyanoacetyl-3,5-dimethylpyrazole,1h-pyrazole-1-propanenitrile, 3,5-dimethyl-beta-oxo |
| IUPAC Name | 3-(3,5-dimethylpyrazol-1-yl)-3-oxopropanenitrile |
| InChI Key | DDWZYWSLHBDVGR-UHFFFAOYSA-N |
| Molecular Formula | C8H9N3O |
6-Chloropurine, 99%
CAS: 87-42-3 Molecular Formula: C5H3ClN4 Molecular Weight (g/mol): 154.557 MDL Number: MFCD00075825 InChI Key: ZKBQDFAWXLTYKS-UHFFFAOYSA-N Synonym: 6-chloropurine,6-chloro-9h-purine,1h-purine, 6-chloro,6-chloro-1h-purine,purine, 6-chloro,6-cp,6-chlorpurine,6-chloro purine,6-chloropurin,chloropurine, 6 PubChem CID: 5359277 IUPAC Name: 6-chloro-7H-purine SMILES: C1=NC2=C(N1)C(=NC=N2)Cl
| PubChem CID | 5359277 |
|---|---|
| CAS | 87-42-3 |
| Molecular Weight (g/mol) | 154.557 |
| MDL Number | MFCD00075825 |
| SMILES | C1=NC2=C(N1)C(=NC=N2)Cl |
| Synonym | 6-chloropurine,6-chloro-9h-purine,1h-purine, 6-chloro,6-chloro-1h-purine,purine, 6-chloro,6-cp,6-chlorpurine,6-chloro purine,6-chloropurin,chloropurine, 6 |
| IUPAC Name | 6-chloro-7H-purine |
| InChI Key | ZKBQDFAWXLTYKS-UHFFFAOYSA-N |
| Molecular Formula | C5H3ClN4 |
6-Aminonicotinic acid, 98%
CAS: 3167-49-5 Molecular Formula: C6H6N2O2 Molecular Weight (g/mol): 138.126 MDL Number: MFCD00006326 InChI Key: ZCIFWRHIEBXBOY-UHFFFAOYSA-N Synonym: 6-aminonicotinic acid,3-pyridinecarboxylic acid, 6-amino,2-amino-5-pyridinecarboxylic acid,6-amino-nicotinic acid,6-amino nicotinic acid,2-aminopyridine-5-carboxylic acid,nicotinic acid, 6-amino,unii-9vr2o1ok60,6-amino-3-pyridinecarboxylic acid,6-aminopyridine 3-carboxylic acid PubChem CID: 18496 ChEBI: CHEBI:68583 IUPAC Name: 6-aminopyridine-3-carboxylic acid SMILES: C1=CC(=NC=C1C(=O)O)N
| PubChem CID | 18496 |
|---|---|
| CAS | 3167-49-5 |
| Molecular Weight (g/mol) | 138.126 |
| ChEBI | CHEBI:68583 |
| MDL Number | MFCD00006326 |
| SMILES | C1=CC(=NC=C1C(=O)O)N |
| Synonym | 6-aminonicotinic acid,3-pyridinecarboxylic acid, 6-amino,2-amino-5-pyridinecarboxylic acid,6-amino-nicotinic acid,6-amino nicotinic acid,2-aminopyridine-5-carboxylic acid,nicotinic acid, 6-amino,unii-9vr2o1ok60,6-amino-3-pyridinecarboxylic acid,6-aminopyridine 3-carboxylic acid |
| IUPAC Name | 6-aminopyridine-3-carboxylic acid |
| InChI Key | ZCIFWRHIEBXBOY-UHFFFAOYSA-N |
| Molecular Formula | C6H6N2O2 |
2-Amino-5-nitropyridine, 97+%
CAS: 4214-76-0 Molecular Formula: C5H5N3O2 Molecular Weight (g/mol): 139.11 MDL Number: MFCD00006325 InChI Key: UGSBCCAHDVCHGI-UHFFFAOYSA-N Synonym: 2-amino-5-nitropyridine,2-pyridinamine, 5-nitro,5-nitro-2-aminopyridine,5-nitro-2-pyridinamine,2-amino-5-nitro pyridine,pyridine, 2-amino-5-nitro,5-nitro-pyridin-2-ylamine,5-nitro-pyridin-2-yl amine,5-nitro-2-pyridylamine,5-nitropyridin-2-amin PubChem CID: 77888 IUPAC Name: 5-nitropyridin-2-amine SMILES: NC1=CC=C(C=N1)[N+]([O-])=O
| PubChem CID | 77888 |
|---|---|
| CAS | 4214-76-0 |
| Molecular Weight (g/mol) | 139.11 |
| MDL Number | MFCD00006325 |
| SMILES | NC1=CC=C(C=N1)[N+]([O-])=O |
| Synonym | 2-amino-5-nitropyridine,2-pyridinamine, 5-nitro,5-nitro-2-aminopyridine,5-nitro-2-pyridinamine,2-amino-5-nitro pyridine,pyridine, 2-amino-5-nitro,5-nitro-pyridin-2-ylamine,5-nitro-pyridin-2-yl amine,5-nitro-2-pyridylamine,5-nitropyridin-2-amin |
| IUPAC Name | 5-nitropyridin-2-amine |
| InChI Key | UGSBCCAHDVCHGI-UHFFFAOYSA-N |
| Molecular Formula | C5H5N3O2 |
Iron(II) phthalocyanine, 96%
CAS: 132-16-1 Molecular Formula: C32H16FeN8 Molecular Weight (g/mol): 568.38 MDL Number: MFCD00015953 InChI Key: MIINHRNQLVVCEW-UHFFFAOYSA-N Synonym: iron phthalocyanine,iron ii phthalocyanine,ferrous phthalocyanine,phthalocyanine iron ii,fepc,29h,31h-phthalocyaninato 2--n29,n30,n31,n32 iron,iron, 29h,31h-phthalocyaninato 2--n29,n39,n31,n32-, sp-4-1,iron, 29h,31h-phthalocyaninato 2--kappan29,kappan30,kappan31,kappan32-, sp-4-1 PubChem CID: 2735065 IUPAC Name: λ²-iron(2+) 2,11,20,29,37,38,39,40-octaazanonacyclo[28.6.1.1³,¹⁰.1¹²,¹⁹.1²¹,²⁸.0⁴,⁹.0¹³,¹⁸.0²²,²⁷.0³¹,³⁶]tetraconta-1(36),2,4,6,8,10(40),11,13,15,17,19,21(38),22,24,26,28,30,32,34-nonadecaene-37,39-diide SMILES: [Fe++].[N-]1C2=NC3=NC(=NC4=C5C=CC=CC5=C([N-]4)N=C4N=C(N=C1C1=CC=CC=C21)C1=CC=CC=C41)C1=CC=CC=C31
| PubChem CID | 2735065 |
|---|---|
| CAS | 132-16-1 |
| Molecular Weight (g/mol) | 568.38 |
| MDL Number | MFCD00015953 |
| SMILES | [Fe++].[N-]1C2=NC3=NC(=NC4=C5C=CC=CC5=C([N-]4)N=C4N=C(N=C1C1=CC=CC=C21)C1=CC=CC=C41)C1=CC=CC=C31 |
| Synonym | iron phthalocyanine,iron ii phthalocyanine,ferrous phthalocyanine,phthalocyanine iron ii,fepc,29h,31h-phthalocyaninato 2--n29,n30,n31,n32 iron,iron, 29h,31h-phthalocyaninato 2--n29,n39,n31,n32-, sp-4-1,iron, 29h,31h-phthalocyaninato 2--kappan29,kappan30,kappan31,kappan32-, sp-4-1 |
| IUPAC Name | λ²-iron(2+) 2,11,20,29,37,38,39,40-octaazanonacyclo[28.6.1.1³,¹⁰.1¹²,¹⁹.1²¹,²⁸.0⁴,⁹.0¹³,¹⁸.0²²,²⁷.0³¹,³⁶]tetraconta-1(36),2,4,6,8,10(40),11,13,15,17,19,21(38),22,24,26,28,30,32,34-nonadecaene-37,39-diide |
| InChI Key | MIINHRNQLVVCEW-UHFFFAOYSA-N |
| Molecular Formula | C32H16FeN8 |
4,7-Dimethyl-1,10-phenanthroline, 98%
CAS: 3248-05-3 Molecular Formula: C14H12N2 Molecular Weight (g/mol): 208.26 MDL Number: MFCD00004979 InChI Key: JIVLDFFWTQYGSR-UHFFFAOYSA-N Synonym: 4,7-dimethyl-o-phenanthroline,1,10-phenanthroline, 4,7-dimethyl,4,7-dimethyl-1,10 phenanthroline,4,7-dimethylpyridino 3,2-h quinoline,acmc-1cjn6,bis 5-chlorophenyl acetic acid,4,7-dimethyl-1,9-phenanthroline,1,10-phenanthroline, 4,7-dimethyl-, hydrate PubChem CID: 72792 IUPAC Name: 4,7-dimethyl-1,10-phenanthroline SMILES: CC1=C2C=CC3=C(C=CN=C3C2=NC=C1)C
| PubChem CID | 72792 |
|---|---|
| CAS | 3248-05-3 |
| Molecular Weight (g/mol) | 208.26 |
| MDL Number | MFCD00004979 |
| SMILES | CC1=C2C=CC3=C(C=CN=C3C2=NC=C1)C |
| Synonym | 4,7-dimethyl-o-phenanthroline,1,10-phenanthroline, 4,7-dimethyl,4,7-dimethyl-1,10 phenanthroline,4,7-dimethylpyridino 3,2-h quinoline,acmc-1cjn6,bis 5-chlorophenyl acetic acid,4,7-dimethyl-1,9-phenanthroline,1,10-phenanthroline, 4,7-dimethyl-, hydrate |
| IUPAC Name | 4,7-dimethyl-1,10-phenanthroline |
| InChI Key | JIVLDFFWTQYGSR-UHFFFAOYSA-N |
| Molecular Formula | C14H12N2 |
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 |
Benzo[b]thiophene-2-carboxylic hydrazide, 97%
CAS: 175135-07-6 Molecular Formula: C9H8N2OS Molecular Weight (g/mol): 192.24 MDL Number: MFCD00052501 InChI Key: ZXKPFIRPUUAAPQ-UHFFFAOYSA-N Synonym: benzo b thiophene-2-carbohydrazide,benzo b thiophene-2-carboxylic hydrazide,thianaphthene-2-carboxylic hydrazide,benzo b thiophene-2-carboxylicacid, hydrazide,maybridge1_008989,acmc-1c3go,#,benzo b thiophene-2-carboxylic acid hydrazide PubChem CID: 519437 IUPAC Name: 1-benzothiophene-2-carbohydrazide SMILES: NNC(=O)C1=CC2=CC=CC=C2S1
| PubChem CID | 519437 |
|---|---|
| CAS | 175135-07-6 |
| Molecular Weight (g/mol) | 192.24 |
| MDL Number | MFCD00052501 |
| SMILES | NNC(=O)C1=CC2=CC=CC=C2S1 |
| Synonym | benzo b thiophene-2-carbohydrazide,benzo b thiophene-2-carboxylic hydrazide,thianaphthene-2-carboxylic hydrazide,benzo b thiophene-2-carboxylicacid, hydrazide,maybridge1_008989,acmc-1c3go,#,benzo b thiophene-2-carboxylic acid hydrazide |
| IUPAC Name | 1-benzothiophene-2-carbohydrazide |
| InChI Key | ZXKPFIRPUUAAPQ-UHFFFAOYSA-N |
| Molecular Formula | C9H8N2OS |
Allyl glycidyl ether, 97%
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 |
2-Amino-4-hydroxy-6-(trifluoromethyl)pyrimidine, 97%
CAS: 1513-69-5 Molecular Formula: C5H4F3N3O Molecular Weight (g/mol): 179.102 MDL Number: MFCD00068093 InChI Key: ZEPSVMLZBXDPGU-UHFFFAOYSA-N Synonym: 2-amino-4-hydroxy-6-trifluoromethyl pyrimidine,2-amino-6-trifluoromethyl pyrimidin-4-ol,2-amino-6-trifluoromethyl-pyrimidin-4-ol,2-amino-6-trifluoromethyl-1h-pyrimidin-4-one,2-amino-4-hydroxy-6-trifluoromethylpyrimidine,2-amino-4-hydroxy-6-trifluoromethyl-pyrimidine,4 1h-pyrimidinone, 2-amino-6-trifluoromethyl,pubchem6976,acmc-1bvtd,maybridge1_007193 PubChem CID: 233891 IUPAC Name: 2-amino-6-(trifluoromethyl)-1H-pyrimidin-4-one SMILES: C1=C(NC(=NC1=O)N)C(F)(F)F
| PubChem CID | 233891 |
|---|---|
| CAS | 1513-69-5 |
| Molecular Weight (g/mol) | 179.102 |
| MDL Number | MFCD00068093 |
| SMILES | C1=C(NC(=NC1=O)N)C(F)(F)F |
| Synonym | 2-amino-4-hydroxy-6-trifluoromethyl pyrimidine,2-amino-6-trifluoromethyl pyrimidin-4-ol,2-amino-6-trifluoromethyl-pyrimidin-4-ol,2-amino-6-trifluoromethyl-1h-pyrimidin-4-one,2-amino-4-hydroxy-6-trifluoromethylpyrimidine,2-amino-4-hydroxy-6-trifluoromethyl-pyrimidine,4 1h-pyrimidinone, 2-amino-6-trifluoromethyl,pubchem6976,acmc-1bvtd,maybridge1_007193 |
| IUPAC Name | 2-amino-6-(trifluoromethyl)-1H-pyrimidin-4-one |
| InChI Key | ZEPSVMLZBXDPGU-UHFFFAOYSA-N |
| Molecular Formula | C5H4F3N3O |
2-Phenylquinoline-4-carboxylic acid, 99%
CAS: 132-60-5 Molecular Formula: C16H11NO2 Molecular Weight (g/mol): 249.269 MDL Number: MFCD00006750 InChI Key: YTRMTPPVNRALON-UHFFFAOYSA-N Synonym: cinchophen,tervalon,2-phenyl-4-quinolinecarboxylic acid,cinchophene,cinconal,phenoquin,quinofen,quinophan,quinophen,atofan PubChem CID: 8593 IUPAC Name: 2-phenylquinoline-4-carboxylic acid SMILES: C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)O
| PubChem CID | 8593 |
|---|---|
| CAS | 132-60-5 |
| Molecular Weight (g/mol) | 249.269 |
| MDL Number | MFCD00006750 |
| SMILES | C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)O |
| Synonym | cinchophen,tervalon,2-phenyl-4-quinolinecarboxylic acid,cinchophene,cinconal,phenoquin,quinofen,quinophan,quinophen,atofan |
| IUPAC Name | 2-phenylquinoline-4-carboxylic acid |
| InChI Key | YTRMTPPVNRALON-UHFFFAOYSA-N |
| Molecular Formula | C16H11NO2 |
4-Hydroxy-2-(trifluoromethyl)pyrimidine, 97%
CAS: 1546-80-1 Molecular Formula: C5H3F3N2O Molecular Weight (g/mol): 164.087 MDL Number: MFCD00151833 InChI Key: PDCVDVCPQWFGAX-UHFFFAOYSA-N Synonym: 2-trifluoromethyl pyrimidin-4-ol,4-hydroxy-2-trifluoromethyl pyrimidine,2-trifluoromethyl-1h-pyrimidin-6-one,2-trifluoromethyl-3h-pyrimidin-4-one,pubchem7199,acmc-1bux4,2-trifluoromethyl-pyrimidin-4-ol,2-trifluoromethyl-4-hydroxypyrimidine,4-hydroxy-2-trifluoromethylpyrimidine,4 3h-pyrimidinone,2-trifluoromethyl PubChem CID: 243570 IUPAC Name: 2-(trifluoromethyl)-1H-pyrimidin-6-one SMILES: C1=CN=C(NC1=O)C(F)(F)F
| PubChem CID | 243570 |
|---|---|
| CAS | 1546-80-1 |
| Molecular Weight (g/mol) | 164.087 |
| MDL Number | MFCD00151833 |
| SMILES | C1=CN=C(NC1=O)C(F)(F)F |
| Synonym | 2-trifluoromethyl pyrimidin-4-ol,4-hydroxy-2-trifluoromethyl pyrimidine,2-trifluoromethyl-1h-pyrimidin-6-one,2-trifluoromethyl-3h-pyrimidin-4-one,pubchem7199,acmc-1bux4,2-trifluoromethyl-pyrimidin-4-ol,2-trifluoromethyl-4-hydroxypyrimidine,4-hydroxy-2-trifluoromethylpyrimidine,4 3h-pyrimidinone,2-trifluoromethyl |
| IUPAC Name | 2-(trifluoromethyl)-1H-pyrimidin-6-one |
| InChI Key | PDCVDVCPQWFGAX-UHFFFAOYSA-N |
| Molecular Formula | C5H3F3N2O |