Organic compounds
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3,4-Ethylenedioxyaniline 98.0+%, TCI America™
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CAS: 22013-33-8 Molecular Formula: C8H9NO2 Molecular Weight (g/mol): 151.17 MDL Number: MFCD00006824 InChI Key: BZKOZYWGZKRTIB-UHFFFAOYSA-N Synonym: 1,4-benzodioxan-6-amine,3,4-ethylenedioxyaniline,6-amino-1,4-benzodioxane,2,3-dihydrobenzo b 1,4 dioxin-6-amine,6-amino-1,4-benzodioxan,1,4-benzodioxan-6-ylamine,1,4-benzodioxin-6-amine, 2,3-dihydro,3,4-ethylenedioxy aniline,2,3-dihydro-benzo 1,4 dioxin-6-ylamine,2,3-dihydro-1,4-benzodioxin-6-amin PubChem CID: 89148 IUPAC Name: 2,3-dihydro-1,4-benzodioxin-6-amine SMILES: NC1=CC=C2OCCOC2=C1
| PubChem CID | 89148 |
|---|---|
| CAS | 22013-33-8 |
| Molecular Weight (g/mol) | 151.17 |
| MDL Number | MFCD00006824 |
| SMILES | NC1=CC=C2OCCOC2=C1 |
| Synonym | 1,4-benzodioxan-6-amine,3,4-ethylenedioxyaniline,6-amino-1,4-benzodioxane,2,3-dihydrobenzo b 1,4 dioxin-6-amine,6-amino-1,4-benzodioxan,1,4-benzodioxan-6-ylamine,1,4-benzodioxin-6-amine, 2,3-dihydro,3,4-ethylenedioxy aniline,2,3-dihydro-benzo 1,4 dioxin-6-ylamine,2,3-dihydro-1,4-benzodioxin-6-amin |
| IUPAC Name | 2,3-dihydro-1,4-benzodioxin-6-amine |
| InChI Key | BZKOZYWGZKRTIB-UHFFFAOYSA-N |
| Molecular Formula | C8H9NO2 |
Tritetradecyl Borate 98.0+%, TCI America™
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CAS: 23162-15-4 Molecular Formula: C42H87BO3 Molecular Weight (g/mol): 650.965 MDL Number: MFCD06797053 InChI Key: WTBVYJWHTHPPKB-UHFFFAOYSA-N Synonym: Boric Acid Tritetradecyl Ester PubChem CID: 64670 IUPAC Name: tritetradecyl borate SMILES: B(OCCCCCCCCCCCCCC)(OCCCCCCCCCCCCCC)OCCCCCCCCCCCCCC
| PubChem CID | 64670 |
|---|---|
| CAS | 23162-15-4 |
| Molecular Weight (g/mol) | 650.965 |
| MDL Number | MFCD06797053 |
| SMILES | B(OCCCCCCCCCCCCCC)(OCCCCCCCCCCCCCC)OCCCCCCCCCCCCCC |
| Synonym | Boric Acid Tritetradecyl Ester |
| IUPAC Name | tritetradecyl borate |
| InChI Key | WTBVYJWHTHPPKB-UHFFFAOYSA-N |
| Molecular Formula | C42H87BO3 |
4-Methyl-N-tosylbenzenesulfonamide 98.0+%, TCI America™
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CAS: 3695-00-9 Molecular Formula: C14H15NO4S2 Molecular Weight (g/mol): 325.397 MDL Number: MFCD00014917 InChI Key: LHWZLUXODWUHLZ-UHFFFAOYSA-N Synonym: bis p-tolylsulfonyl amine,di-p-toluenesulfonamide,ditosylamine,di-p-toluenesulfonimide,bis 4-methylbenzenesulfon amine,benzenesulfonamide, 4-methyl-n-4-methylphenyl sulfonyl,4-methyl-n-tosylbenzenesulfonamide,4-methyl-n-4-methylphenyl sulfonyl benzenesulfonamide PubChem CID: 77279 IUPAC Name: 4-methyl-N-(4-methylphenyl)sulfonylbenzenesulfonamide SMILES: CC1=CC=C(C=C1)S(=O)(=O)NS(=O)(=O)C2=CC=C(C=C2)C
| PubChem CID | 77279 |
|---|---|
| CAS | 3695-00-9 |
| Molecular Weight (g/mol) | 325.397 |
| MDL Number | MFCD00014917 |
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)NS(=O)(=O)C2=CC=C(C=C2)C |
| Synonym | bis p-tolylsulfonyl amine,di-p-toluenesulfonamide,ditosylamine,di-p-toluenesulfonimide,bis 4-methylbenzenesulfon amine,benzenesulfonamide, 4-methyl-n-4-methylphenyl sulfonyl,4-methyl-n-tosylbenzenesulfonamide,4-methyl-n-4-methylphenyl sulfonyl benzenesulfonamide |
| IUPAC Name | 4-methyl-N-(4-methylphenyl)sulfonylbenzenesulfonamide |
| InChI Key | LHWZLUXODWUHLZ-UHFFFAOYSA-N |
| Molecular Formula | C14H15NO4S2 |
4-Oxazolecarboxylic Acid 98.0+%, TCI America™
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CAS: 23012-13-7 Molecular Formula: C4H3NO3 Molecular Weight (g/mol): 113.072 MDL Number: MFCD06797151 InChI Key: JBCFJMYPJJWIRG-UHFFFAOYSA-N Synonym: oxazole-4-carboxylic acid,4-oxazolecarboxylic acid,4-oxazolecarboxylicacid,4-carboxy-1,3-oxazole,oxazole-4-carboxylic,4-oxazolecarboxlic acid,pubchem11025,4-carboxyoxazole,4-oxazolecarboxylic acid ep PubChem CID: 14281430 IUPAC Name: 1,3-oxazole-4-carboxylic acid SMILES: C1=C(N=CO1)C(=O)O
| PubChem CID | 14281430 |
|---|---|
| CAS | 23012-13-7 |
| Molecular Weight (g/mol) | 113.072 |
| MDL Number | MFCD06797151 |
| SMILES | C1=C(N=CO1)C(=O)O |
| Synonym | oxazole-4-carboxylic acid,4-oxazolecarboxylic acid,4-oxazolecarboxylicacid,4-carboxy-1,3-oxazole,oxazole-4-carboxylic,4-oxazolecarboxlic acid,pubchem11025,4-carboxyoxazole,4-oxazolecarboxylic acid ep |
| IUPAC Name | 1,3-oxazole-4-carboxylic acid |
| InChI Key | JBCFJMYPJJWIRG-UHFFFAOYSA-N |
| Molecular Formula | C4H3NO3 |
2-Chloro-5-methyl-3-nitropyridine 98.0+%, TCI America™
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CAS: 23056-40-8 Molecular Formula: C6H5ClN2O2 Molecular Weight (g/mol): 172.568 InChI Key: LUAJUWOJEFFNFE-UHFFFAOYSA-N Synonym: 2-chloro-3-nitro-5-picoline,2-chloro-3-nitro-5-methylpyridine,2-chloro-5-methyl-3-nitro-pyridine,2-chloro-5-methyl-3-nitro pyridine,pyridine, 2-chloro-5-methyl-3-nitro,pubchem6171,acmc-1ciox,ksc496c3p,6-chloro-5-nitro-3-picoline PubChem CID: 818300 IUPAC Name: 2-chloro-5-methyl-3-nitropyridine SMILES: CC1=CC(=C(N=C1)Cl)[N+](=O)[O-]
| PubChem CID | 818300 |
|---|---|
| CAS | 23056-40-8 |
| Molecular Weight (g/mol) | 172.568 |
| SMILES | CC1=CC(=C(N=C1)Cl)[N+](=O)[O-] |
| Synonym | 2-chloro-3-nitro-5-picoline,2-chloro-3-nitro-5-methylpyridine,2-chloro-5-methyl-3-nitro-pyridine,2-chloro-5-methyl-3-nitro pyridine,pyridine, 2-chloro-5-methyl-3-nitro,pubchem6171,acmc-1ciox,ksc496c3p,6-chloro-5-nitro-3-picoline |
| IUPAC Name | 2-chloro-5-methyl-3-nitropyridine |
| InChI Key | LUAJUWOJEFFNFE-UHFFFAOYSA-N |
| Molecular Formula | C6H5ClN2O2 |
5-Bromo-2-thiophenesulfonamide 97.0+%, TCI America™
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CAS: 53595-65-6 Molecular Formula: C4H4BrNO2S2 Molecular Weight (g/mol): 242.11 MDL Number: MFCD00067990 InChI Key: WXJQQLDICAOBJB-UHFFFAOYSA-N Synonym: 5-bromo-2-thiophenesulfonamide,5-bromo-thiophene-2-sulfonic acid amide,2-thiophenesulfonamide, 5-bromo,5-bromothiophene-2-sulfonic acid amide,5-bromothiophene-2-sulphonamide,2-bromo thiophene-5-sulfonamide,5-bromothiophene-2-sulfonylamine,pubchem7369,maybridge1_004885,acmc-1b1sa PubChem CID: 1241304 IUPAC Name: 5-bromothiophene-2-sulfonamide SMILES: NS(=O)(=O)C1=CC=C(Br)S1
| PubChem CID | 1241304 |
|---|---|
| CAS | 53595-65-6 |
| Molecular Weight (g/mol) | 242.11 |
| MDL Number | MFCD00067990 |
| SMILES | NS(=O)(=O)C1=CC=C(Br)S1 |
| Synonym | 5-bromo-2-thiophenesulfonamide,5-bromo-thiophene-2-sulfonic acid amide,2-thiophenesulfonamide, 5-bromo,5-bromothiophene-2-sulfonic acid amide,5-bromothiophene-2-sulphonamide,2-bromo thiophene-5-sulfonamide,5-bromothiophene-2-sulfonylamine,pubchem7369,maybridge1_004885,acmc-1b1sa |
| IUPAC Name | 5-bromothiophene-2-sulfonamide |
| InChI Key | WXJQQLDICAOBJB-UHFFFAOYSA-N |
| Molecular Formula | C4H4BrNO2S2 |
Butyl Levulinate 98.0+%, TCI America™
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CAS: 2052-15-5 Molecular Formula: C9H16O3 Molecular Weight (g/mol): 172.224 MDL Number: MFCD00009449 InChI Key: ISBWNEKJSSLXOD-UHFFFAOYSA-N Synonym: butyl levulinate,n-butyl levulinate,butyl laevulinate,pentanoic acid, 4-oxo-, butyl ester,n-butyl laevulinate,levulinic acid, butyl ester,butyl 4-ketovalerate,4-ketopentanoic acid butyl ester,butyl acetylpropionate,n-butyl 4-oxopentanoate PubChem CID: 16331 IUPAC Name: butyl 4-oxopentanoate SMILES: CCCCOC(=O)CCC(=O)C
| PubChem CID | 16331 |
|---|---|
| CAS | 2052-15-5 |
| Molecular Weight (g/mol) | 172.224 |
| MDL Number | MFCD00009449 |
| SMILES | CCCCOC(=O)CCC(=O)C |
| Synonym | butyl levulinate,n-butyl levulinate,butyl laevulinate,pentanoic acid, 4-oxo-, butyl ester,n-butyl laevulinate,levulinic acid, butyl ester,butyl 4-ketovalerate,4-ketopentanoic acid butyl ester,butyl acetylpropionate,n-butyl 4-oxopentanoate |
| IUPAC Name | butyl 4-oxopentanoate |
| InChI Key | ISBWNEKJSSLXOD-UHFFFAOYSA-N |
| Molecular Formula | C9H16O3 |
N,N,N',N'-Tetramethyldiaminomethane 98.0+%, TCI America™
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CAS: 51-80-9 Molecular Formula: C5H14N2 Molecular Weight (g/mol): 102.18 MDL Number: MFCD00008328 InChI Key: VGIVLIHKENZQHQ-UHFFFAOYSA-N Synonym: n,n,n',n'-tetramethyldiaminomethane,bis dimethylamino methane,methanediamine, n,n,n',n'-tetramethyl,tetramethylmethylenediamine,methylenebis dimethylamine,n,n,n',n'-tetramethylmethylenediamine,unii-z870i525ks,methylenediamine, n,n,n',n'-tetramethyl,dimethylamino methyl dimethylamine,dimethyl dimethylamino methyl amine PubChem CID: 5829 IUPAC Name: [(dimethylamino)methyl]dimethylamine SMILES: CN(C)CN(C)C
| PubChem CID | 5829 |
|---|---|
| CAS | 51-80-9 |
| Molecular Weight (g/mol) | 102.18 |
| MDL Number | MFCD00008328 |
| SMILES | CN(C)CN(C)C |
| Synonym | n,n,n',n'-tetramethyldiaminomethane,bis dimethylamino methane,methanediamine, n,n,n',n'-tetramethyl,tetramethylmethylenediamine,methylenebis dimethylamine,n,n,n',n'-tetramethylmethylenediamine,unii-z870i525ks,methylenediamine, n,n,n',n'-tetramethyl,dimethylamino methyl dimethylamine,dimethyl dimethylamino methyl amine |
| IUPAC Name | [(dimethylamino)methyl]dimethylamine |
| InChI Key | VGIVLIHKENZQHQ-UHFFFAOYSA-N |
| Molecular Formula | C5H14N2 |
1,2,3,6,7,8-Hexahydropyrene 98.0+%, TCI America™
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CAS: 1732-13-4 Molecular Formula: C16H16 Molecular Weight (g/mol): 208.304 MDL Number: MFCD00010584 InChI Key: MBAIEZXRGAOPKH-UHFFFAOYSA-N PubChem CID: 74417 IUPAC Name: 1,2,3,6,7,8-hexahydropyrene SMILES: C1CC2=C3C(=CC=C4C3=C(CCC4)C=C2)C1
| PubChem CID | 74417 |
|---|---|
| CAS | 1732-13-4 |
| Molecular Weight (g/mol) | 208.304 |
| MDL Number | MFCD00010584 |
| SMILES | C1CC2=C3C(=CC=C4C3=C(CCC4)C=C2)C1 |
| IUPAC Name | 1,2,3,6,7,8-hexahydropyrene |
| InChI Key | MBAIEZXRGAOPKH-UHFFFAOYSA-N |
| Molecular Formula | C16H16 |
2-(2-Bromophenyl)ethyl Alcohol 98.0+%, TCI America™
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CAS: 1074-16-4 Molecular Formula: C8H9BrO Molecular Weight (g/mol): 201.063 MDL Number: MFCD00093566 InChI Key: ADLOWZRDUHSVRU-UHFFFAOYSA-N Synonym: 2-2-bromophenyl ethanol,2-bromophenethyl alcohol,2-bromophenethylalcohol,2-2-bromophenyl ethan-1-ol,benzeneethanol, 2-bromo,o-bromophenethyl alcohol,2-2-bromophenyl ethyl alcohol,2-bromobenzeneethanol,2-bromophenylethanol,pubchem16178 PubChem CID: 2734089 IUPAC Name: 2-(2-bromophenyl)ethanol SMILES: C1=CC=C(C(=C1)CCO)Br
| PubChem CID | 2734089 |
|---|---|
| CAS | 1074-16-4 |
| Molecular Weight (g/mol) | 201.063 |
| MDL Number | MFCD00093566 |
| SMILES | C1=CC=C(C(=C1)CCO)Br |
| Synonym | 2-2-bromophenyl ethanol,2-bromophenethyl alcohol,2-bromophenethylalcohol,2-2-bromophenyl ethan-1-ol,benzeneethanol, 2-bromo,o-bromophenethyl alcohol,2-2-bromophenyl ethyl alcohol,2-bromobenzeneethanol,2-bromophenylethanol,pubchem16178 |
| IUPAC Name | 2-(2-bromophenyl)ethanol |
| InChI Key | ADLOWZRDUHSVRU-UHFFFAOYSA-N |
| Molecular Formula | C8H9BrO |
2-Ethyl-2-imidazoline 98.0+%, TCI America™
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CAS: 930-52-9 Molecular Formula: C5H10N2 Molecular Weight (g/mol): 98.15 MDL Number: MFCD00242607 InChI Key: QUPKCFBHJFNUEW-UHFFFAOYSA-N PubChem CID: 13590 IUPAC Name: 2-ethyl-4,5-dihydro-1H-imidazole SMILES: CCC1=NCCN1
| PubChem CID | 13590 |
|---|---|
| CAS | 930-52-9 |
| Molecular Weight (g/mol) | 98.15 |
| MDL Number | MFCD00242607 |
| SMILES | CCC1=NCCN1 |
| IUPAC Name | 2-ethyl-4,5-dihydro-1H-imidazole |
| InChI Key | QUPKCFBHJFNUEW-UHFFFAOYSA-N |
| Molecular Formula | C5H10N2 |
Xanthohumol 97.0+%, TCI America™
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CAS: 6754-58-1 Molecular Formula: C21H22O5 Molecular Weight (g/mol): 354.402 MDL Number: MFCD00210576 InChI Key: ORXQGKIUCDPEAJ-YRNVUSSQSA-N Synonym: xanthohumol,1-2,4-dihydroxy-6-methoxy-3-3-methylbut-2-en-1-yl phenyl-3-4-hydroxyphenyl prop-2-en-1-one,unii-t4467yt1nt,2',4,4'-trihydroxy-6'-methoxy-3'-prenylchalcone,1-2,4-dihydroxy-6-methoxy-3-3-methyl-2-butenyl phenyl-3-4-hydroxyphenyl-2-propen-1-one,2e-1-2,4-dihydroxy-6-methoxy-3-3-methylbut-2-en-1-yl phenyl-3-4-hydroxyphenyl prop-2-en-1-one,e-1-2,4-dihydroxy-6-methoxy-3-3-methyl-2-butenyl phenyl-3-4-hydroxyphenyl propenone,e-1-2,4-dihydroxy-6-methoxy-3-3-methylbut-2-enyl phenyl-3-4-hydroxyphenyl prop-2-en-1-one,xanthohumol from hop humulus lupulus,2',4,4'-trihydroxy-3'-prenyl-6'-methoxychalcone PubChem CID: 639665 ChEBI: CHEBI:66331 IUPAC Name: (E)-1-[2,4-dihydroxy-6-methoxy-3-(3-methylbut-2-enyl)phenyl]-3-(4-hydroxyphenyl)prop-2-en-1-one SMILES: CC(=CCC1=C(C=C(C(=C1O)C(=O)C=CC2=CC=C(C=C2)O)OC)O)C
| PubChem CID | 639665 |
|---|---|
| CAS | 6754-58-1 |
| Molecular Weight (g/mol) | 354.402 |
| ChEBI | CHEBI:66331 |
| MDL Number | MFCD00210576 |
| SMILES | CC(=CCC1=C(C=C(C(=C1O)C(=O)C=CC2=CC=C(C=C2)O)OC)O)C |
| Synonym | xanthohumol,1-2,4-dihydroxy-6-methoxy-3-3-methylbut-2-en-1-yl phenyl-3-4-hydroxyphenyl prop-2-en-1-one,unii-t4467yt1nt,2',4,4'-trihydroxy-6'-methoxy-3'-prenylchalcone,1-2,4-dihydroxy-6-methoxy-3-3-methyl-2-butenyl phenyl-3-4-hydroxyphenyl-2-propen-1-one,2e-1-2,4-dihydroxy-6-methoxy-3-3-methylbut-2-en-1-yl phenyl-3-4-hydroxyphenyl prop-2-en-1-one,e-1-2,4-dihydroxy-6-methoxy-3-3-methyl-2-butenyl phenyl-3-4-hydroxyphenyl propenone,e-1-2,4-dihydroxy-6-methoxy-3-3-methylbut-2-enyl phenyl-3-4-hydroxyphenyl prop-2-en-1-one,xanthohumol from hop humulus lupulus,2',4,4'-trihydroxy-3'-prenyl-6'-methoxychalcone |
| IUPAC Name | (E)-1-[2,4-dihydroxy-6-methoxy-3-(3-methylbut-2-enyl)phenyl]-3-(4-hydroxyphenyl)prop-2-en-1-one |
| InChI Key | ORXQGKIUCDPEAJ-YRNVUSSQSA-N |
| Molecular Formula | C21H22O5 |
2-Nitroamino-2-imidazoline, TCI America™
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CAS: 5465-96-3 Molecular Formula: C3H6N4O2 Molecular Weight (g/mol): 130.107 MDL Number: MFCD00047040 InChI Key: DJZWNSRUEJSEEB-UHFFFAOYSA-N Synonym: 2-(Nitroimino)imidazolidine PubChem CID: 410042 IUPAC Name: N-(4,5-dihydro-1H-imidazol-2-yl)nitramide SMILES: C1CN=C(N1)N[N+](=O)[O-]
| PubChem CID | 410042 |
|---|---|
| CAS | 5465-96-3 |
| Molecular Weight (g/mol) | 130.107 |
| MDL Number | MFCD00047040 |
| SMILES | C1CN=C(N1)N[N+](=O)[O-] |
| Synonym | 2-(Nitroimino)imidazolidine |
| IUPAC Name | N-(4,5-dihydro-1H-imidazol-2-yl)nitramide |
| InChI Key | DJZWNSRUEJSEEB-UHFFFAOYSA-N |
| Molecular Formula | C3H6N4O2 |
4-Phenoxybutyl Bromide 96.0+%, TCI America™
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CAS: 1200-03-9 Molecular Formula: C10H13BrO Molecular Weight (g/mol): 229.12 MDL Number: MFCD00000262 InChI Key: QBLISOIWPZSVIK-UHFFFAOYSA-N Synonym: 4-bromobutoxy benzene,4-phenoxybutyl bromide,4-bromobutyl phenyl ether,benzene, 4-bromobutoxy,1-bromo-4-phenoxybutane,phenoxybutyl bromide,4-phenoxybutylbromide,benzene, bromobutoxy,4-bromo-1-phenoxybutane,4-brombutoxy benzol PubChem CID: 70986 IUPAC Name: (4-bromobutoxy)benzene SMILES: BrCCCCOC1=CC=CC=C1
| PubChem CID | 70986 |
|---|---|
| CAS | 1200-03-9 |
| Molecular Weight (g/mol) | 229.12 |
| MDL Number | MFCD00000262 |
| SMILES | BrCCCCOC1=CC=CC=C1 |
| Synonym | 4-bromobutoxy benzene,4-phenoxybutyl bromide,4-bromobutyl phenyl ether,benzene, 4-bromobutoxy,1-bromo-4-phenoxybutane,phenoxybutyl bromide,4-phenoxybutylbromide,benzene, bromobutoxy,4-bromo-1-phenoxybutane,4-brombutoxy benzol |
| IUPAC Name | (4-bromobutoxy)benzene |
| InChI Key | QBLISOIWPZSVIK-UHFFFAOYSA-N |
| Molecular Formula | C10H13BrO |
1-Nitro-3-(trifluoromethoxy)benzene 98.0+%, TCI America™
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CAS: 2995-45-1 Molecular Formula: C7H4F3NO3 Molecular Weight (g/mol): 207.11 MDL Number: MFCD00041011 InChI Key: QBWJNDOQIAARBT-UHFFFAOYSA-N PubChem CID: 2777297 IUPAC Name: 1-nitro-3-(trifluoromethoxy)benzene SMILES: [O-][N+](=O)C1=CC(OC(F)(F)F)=CC=C1
| PubChem CID | 2777297 |
|---|---|
| CAS | 2995-45-1 |
| Molecular Weight (g/mol) | 207.11 |
| MDL Number | MFCD00041011 |
| SMILES | [O-][N+](=O)C1=CC(OC(F)(F)F)=CC=C1 |
| IUPAC Name | 1-nitro-3-(trifluoromethoxy)benzene |
| InChI Key | QBWJNDOQIAARBT-UHFFFAOYSA-N |
| Molecular Formula | C7H4F3NO3 |