
Organooxygen compounds
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4-(4-Fluorobenzoyl)piperidine hydrochloride, 98%
CAS: 25519-78-2 Molecular Formula: C12H15ClFNO Molecular Weight (g/mol): 243.71 MDL Number: MFCD00044912 InChI Key: GPKDBZQZPNOBGM-UHFFFAOYSA-N Synonym: 4-4-fluorobenzoyl piperidine hydrochloride,4-fluorophenyl piperidin-4-yl methanone hydrochloride,4-fluorophenyl 4-piperidinyl ketone hydrochloride,p-fluorophenyl 4-piperidyl ketone hydrochloride,4-fluorophenyl 4-piperidyl methanone hydrochloride,4-fluoro-phenyl-piperidin-4-yl-methanone hydrochloride,4-4-fluorobenzoyl piperidine hcl,4-p-fluorobenzoyl piperidine hydrochloride,4-4'-fluorobenzoyl piperidine hydrochloride,methanone, 4-fluorophenyl-4-piperidinyl-, hydrochloride PubChem CID: 3084438 IUPAC Name: (4-fluorophenyl)-piperidin-4-ylmethanone;hydrochloride SMILES: [H+].[Cl-].FC1=CC=C(C=C1)C(=O)C1CCNCC1
PubChem CID | 3084438 |
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CAS | 25519-78-2 |
Molecular Weight (g/mol) | 243.71 |
MDL Number | MFCD00044912 |
SMILES | [H+].[Cl-].FC1=CC=C(C=C1)C(=O)C1CCNCC1 |
Synonym | 4-4-fluorobenzoyl piperidine hydrochloride,4-fluorophenyl piperidin-4-yl methanone hydrochloride,4-fluorophenyl 4-piperidinyl ketone hydrochloride,p-fluorophenyl 4-piperidyl ketone hydrochloride,4-fluorophenyl 4-piperidyl methanone hydrochloride,4-fluoro-phenyl-piperidin-4-yl-methanone hydrochloride,4-4-fluorobenzoyl piperidine hcl,4-p-fluorobenzoyl piperidine hydrochloride,4-4'-fluorobenzoyl piperidine hydrochloride,methanone, 4-fluorophenyl-4-piperidinyl-, hydrochloride |
IUPAC Name | (4-fluorophenyl)-piperidin-4-ylmethanone;hydrochloride |
InChI Key | GPKDBZQZPNOBGM-UHFFFAOYSA-N |
Molecular Formula | C12H15ClFNO |
Diethyl n-propylmalonate, 99%
CAS: 2163-48-6 Molecular Formula: C10H18O4 Molecular Weight (g/mol): 202.25 MDL Number: MFCD00009168 InChI Key: GRRSDGHTSMJICM-UHFFFAOYSA-N Synonym: diethyl propylmalonate,diethyl 2-propylmalonate,1,3-diethyl 2-propylpropanedioate,diethyl n-propylmalonate,diethylpropylmalonate,propylmalonic acid diethyl ester,propanedioic acid, propyl-, diethyl ester,diethyl-n-propylmalonate,malonic acid, propyl-, diethyl ester,diethyl propyl malonate PubChem CID: 16552 IUPAC Name: diethyl 2-propylpropanedioate SMILES: CCCC(C(=O)OCC)C(=O)OCC
PubChem CID | 16552 |
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CAS | 2163-48-6 |
Molecular Weight (g/mol) | 202.25 |
MDL Number | MFCD00009168 |
SMILES | CCCC(C(=O)OCC)C(=O)OCC |
Synonym | diethyl propylmalonate,diethyl 2-propylmalonate,1,3-diethyl 2-propylpropanedioate,diethyl n-propylmalonate,diethylpropylmalonate,propylmalonic acid diethyl ester,propanedioic acid, propyl-, diethyl ester,diethyl-n-propylmalonate,malonic acid, propyl-, diethyl ester,diethyl propyl malonate |
IUPAC Name | diethyl 2-propylpropanedioate |
InChI Key | GRRSDGHTSMJICM-UHFFFAOYSA-N |
Molecular Formula | C10H18O4 |
2',4'-Dihydroxypropiophenone, 99%
CAS: 5792-36-9 Molecular Formula: C9H10O3 Molecular Weight (g/mol): 166.176 MDL Number: MFCD00002280 InChI Key: LLBBBYLDTDJMNU-UHFFFAOYSA-N Synonym: 2',4'-dihydroxypropiophenone,1-2,4-dihydroxyphenyl propan-1-one,2,4-dihydroxypropiophenone,4-propionylresorcinol,1-propanone, 1-2,4-dihydroxyphenyl,respropiophenone,resorcinol fragment, 9,acmc-209m1c,2',4'-dihydroxy-propiophenone,2/',4/'-dihydroxypropiophenone PubChem CID: 79856 IUPAC Name: 1-(2,4-dihydroxyphenyl)propan-1-one SMILES: CCC(=O)C1=C(C=C(C=C1)O)O
PubChem CID | 79856 |
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CAS | 5792-36-9 |
Molecular Weight (g/mol) | 166.176 |
MDL Number | MFCD00002280 |
SMILES | CCC(=O)C1=C(C=C(C=C1)O)O |
Synonym | 2',4'-dihydroxypropiophenone,1-2,4-dihydroxyphenyl propan-1-one,2,4-dihydroxypropiophenone,4-propionylresorcinol,1-propanone, 1-2,4-dihydroxyphenyl,respropiophenone,resorcinol fragment, 9,acmc-209m1c,2',4'-dihydroxy-propiophenone,2/',4/'-dihydroxypropiophenone |
IUPAC Name | 1-(2,4-dihydroxyphenyl)propan-1-one |
InChI Key | LLBBBYLDTDJMNU-UHFFFAOYSA-N |
Molecular Formula | C9H10O3 |
1,1,3-Trimethoxypropane, 97%
CAS: 14315-97-0 Molecular Formula: C6H14O3 Molecular Weight (g/mol): 134.18 MDL Number: MFCD00008490 InChI Key: FKZYYYDRLJCHGL-UHFFFAOYSA-N Synonym: propane, 1,1,3-trimethoxy,propane,1,1,3-trimethoxy,acmc-1brb6,1,1,3-trimethoxy-propane,1,1,3-trimethoxypropane,beta-methoxypropionaldehyde dimethyl acetal PubChem CID: 84348 IUPAC Name: 1,1,3-trimethoxypropane SMILES: COCCC(OC)OC
PubChem CID | 84348 |
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CAS | 14315-97-0 |
Molecular Weight (g/mol) | 134.18 |
MDL Number | MFCD00008490 |
SMILES | COCCC(OC)OC |
Synonym | propane, 1,1,3-trimethoxy,propane,1,1,3-trimethoxy,acmc-1brb6,1,1,3-trimethoxy-propane,1,1,3-trimethoxypropane,beta-methoxypropionaldehyde dimethyl acetal |
IUPAC Name | 1,1,3-trimethoxypropane |
InChI Key | FKZYYYDRLJCHGL-UHFFFAOYSA-N |
Molecular Formula | C6H14O3 |
5-Norbornene-2-exo,3-exo-dimethanol, 97%
CAS: 699-95-6 Molecular Formula: C9H14O2 Molecular Weight (g/mol): 154.209 MDL Number: MFCD00799568 InChI Key: IGHHPVIMEQGKNE-ROVKLQMOSA-N Synonym: bicyclo 2.2.1 hept-5-ene-2-exo,3-exo-dimethanol PubChem CID: 73995587 IUPAC Name: [(1R,3S,4S)-3-(hydroxymethyl)-2-bicyclo[2.2.1]hept-5-enyl]methanol SMILES: C1C2C=CC1C(C2CO)CO
PubChem CID | 73995587 |
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CAS | 699-95-6 |
Molecular Weight (g/mol) | 154.209 |
MDL Number | MFCD00799568 |
SMILES | C1C2C=CC1C(C2CO)CO |
Synonym | bicyclo 2.2.1 hept-5-ene-2-exo,3-exo-dimethanol |
IUPAC Name | [(1R,3S,4S)-3-(hydroxymethyl)-2-bicyclo[2.2.1]hept-5-enyl]methanol |
InChI Key | IGHHPVIMEQGKNE-ROVKLQMOSA-N |
Molecular Formula | C9H14O2 |
5,7-Dibromo-1-indanone, 97%
CAS: 923977-18-8 Molecular Formula: C9H6Br2O Molecular Weight (g/mol): 289.954 MDL Number: MFCD11707100 InChI Key: WLRPGDOWFWBUAE-UHFFFAOYSA-N Synonym: 5,7-dibromo-1-indanone,5,7-dibromo-2,3-dihydro-1h-inden-1-one,5,7-dibromoindanone,5,7-dibromoindan-1-one,5,7-bis bromanyl-2,3-dihydroinden-1-one PubChem CID: 16038257 IUPAC Name: 5,7-dibromo-2,3-dihydroinden-1-one SMILES: C1CC(=O)C2=C(C=C(C=C21)Br)Br
PubChem CID | 16038257 |
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CAS | 923977-18-8 |
Molecular Weight (g/mol) | 289.954 |
MDL Number | MFCD11707100 |
SMILES | C1CC(=O)C2=C(C=C(C=C21)Br)Br |
Synonym | 5,7-dibromo-1-indanone,5,7-dibromo-2,3-dihydro-1h-inden-1-one,5,7-dibromoindanone,5,7-dibromoindan-1-one,5,7-bis bromanyl-2,3-dihydroinden-1-one |
IUPAC Name | 5,7-dibromo-2,3-dihydroinden-1-one |
InChI Key | WLRPGDOWFWBUAE-UHFFFAOYSA-N |
Molecular Formula | C9H6Br2O |
Pyrimidine-5-carboxaldehyde, 97%
CAS: 10070-92-5 Molecular Formula: C5H4N2O Molecular Weight (g/mol): 108.10 MDL Number: MFCD03426065 InChI Key: FREJAOSUHFGDBW-UHFFFAOYSA-N Synonym: pyrimidine-5-carboxaldehyde,5-formylpyrimidine,pyrimidine-5-carboxyaldehyde,5-pyrimidinecarboxaldehyde,5-pyrimidinecarbaldehyde,5-pyrimidinaldehyde,5-formyl pyrimidine,pubchem5298,pyrimidine-5-aldehyde,pyrimidine 5-carboxaldehyde PubChem CID: 2761034 IUPAC Name: pyrimidine-5-carbaldehyde SMILES: O=CC1=CN=CN=C1
PubChem CID | 2761034 |
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CAS | 10070-92-5 |
Molecular Weight (g/mol) | 108.10 |
MDL Number | MFCD03426065 |
SMILES | O=CC1=CN=CN=C1 |
Synonym | pyrimidine-5-carboxaldehyde,5-formylpyrimidine,pyrimidine-5-carboxyaldehyde,5-pyrimidinecarboxaldehyde,5-pyrimidinecarbaldehyde,5-pyrimidinaldehyde,5-formyl pyrimidine,pubchem5298,pyrimidine-5-aldehyde,pyrimidine 5-carboxaldehyde |
IUPAC Name | pyrimidine-5-carbaldehyde |
InChI Key | FREJAOSUHFGDBW-UHFFFAOYSA-N |
Molecular Formula | C5H4N2O |
7-Bromo-1-heptanol, 96%
CAS: 10160-24-4 Molecular Formula: C7H15BrO Molecular Weight (g/mol): 195.1 MDL Number: MFCD00041708 InChI Key: MMXRRNUXCHUHOE-UHFFFAOYSA-N Synonym: 7-bromo-1-heptanol,1-heptanol, 7-bromo,7-bromoheptanol,7-bromoheptane-1-ol PubChem CID: 66284 IUPAC Name: 7-bromoheptan-1-ol SMILES: C(CCCO)CCCBr
PubChem CID | 66284 |
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CAS | 10160-24-4 |
Molecular Weight (g/mol) | 195.1 |
MDL Number | MFCD00041708 |
SMILES | C(CCCO)CCCBr |
Synonym | 7-bromo-1-heptanol,1-heptanol, 7-bromo,7-bromoheptanol,7-bromoheptane-1-ol |
IUPAC Name | 7-bromoheptan-1-ol |
InChI Key | MMXRRNUXCHUHOE-UHFFFAOYSA-N |
Molecular Formula | C7H15BrO |
Di(2-pyridyl) ketone, 98%
CAS: 19437-26-4 Molecular Formula: C11H8N2O Molecular Weight (g/mol): 184.198 MDL Number: MFCD00006288 InChI Key: QPOWUYJWCJRLEE-UHFFFAOYSA-N Synonym: di-2-pyridyl ketone,di pyridin-2-yl methanone,bis 2-pyridyl ketone,2,2'-carbonyldipyridine,di 2-pyridyl ketone,methanone, di-2-pyridinyl,2,2'-dipyridyl ketone,2-pyridine-2-carbonyl pyridine,pyridyl ketone PubChem CID: 88065 IUPAC Name: dipyridin-2-ylmethanone SMILES: C1=CC=NC(=C1)C(=O)C2=CC=CC=N2
PubChem CID | 88065 |
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CAS | 19437-26-4 |
Molecular Weight (g/mol) | 184.198 |
MDL Number | MFCD00006288 |
SMILES | C1=CC=NC(=C1)C(=O)C2=CC=CC=N2 |
Synonym | di-2-pyridyl ketone,di pyridin-2-yl methanone,bis 2-pyridyl ketone,2,2'-carbonyldipyridine,di 2-pyridyl ketone,methanone, di-2-pyridinyl,2,2'-dipyridyl ketone,2-pyridine-2-carbonyl pyridine,pyridyl ketone |
IUPAC Name | dipyridin-2-ylmethanone |
InChI Key | QPOWUYJWCJRLEE-UHFFFAOYSA-N |
Molecular Formula | C11H8N2O |
4,5-Diazafluoren-9-one, 98%
CAS: 50890-67-0 Molecular Formula: C11H6N2O Molecular Weight (g/mol): 182.182 MDL Number: MFCD00046892 InChI Key: PFMTUGNLBQSHQC-UHFFFAOYSA-N Synonym: 4,5-diazafluoren-9-one,5h-cyclopenta 1,2-b:5,4-b' dipyridin-5-one,5h-cyclopenta 2,1-b:3,4-b' dipyridin-5-one,5h-pyrido 3',2':4,5 cyclopenta 1,2-b pyridin-5-one,pyridino 3',2'-1,2 cyclopenta 3,4-b pyridin-5-one,dafone,dafo,4,5-diazafluorenone-0,4,5-diaza-9h-fluoren-9-one PubChem CID: 342157 SMILES: C1=CC2=C(C3=C(C2=O)C=CC=N3)N=C1
PubChem CID | 342157 |
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CAS | 50890-67-0 |
Molecular Weight (g/mol) | 182.182 |
MDL Number | MFCD00046892 |
SMILES | C1=CC2=C(C3=C(C2=O)C=CC=N3)N=C1 |
Synonym | 4,5-diazafluoren-9-one,5h-cyclopenta 1,2-b:5,4-b' dipyridin-5-one,5h-cyclopenta 2,1-b:3,4-b' dipyridin-5-one,5h-pyrido 3',2':4,5 cyclopenta 1,2-b pyridin-5-one,pyridino 3',2'-1,2 cyclopenta 3,4-b pyridin-5-one,dafone,dafo,4,5-diazafluorenone-0,4,5-diaza-9h-fluoren-9-one |
InChI Key | PFMTUGNLBQSHQC-UHFFFAOYSA-N |
Molecular Formula | C11H6N2O |
3-Methylpyridine-2-carboxaldehyde, 96%
CAS: 55589-47-4 Molecular Formula: C7H7NO Molecular Weight (g/mol): 121.139 MDL Number: MFCD02181144 InChI Key: JDYVLWWFVYNMTN-UHFFFAOYSA-N Synonym: 3-methylpicolinaldehyde,3-methyl-2-pyridinecarboxaldehyde,3-methylpyridine-2-carboxaldehyde,3-methyl-2-pyridinaldehyde,2-formyl-3-picoline,3-methyl-pyridine-2-carbaldehyde,2-formyl-3-methylpyridine,pyridinecarboxaldehyde, methyl,2-pyridinecarboxaldehyde, 3-methyl,3-methyl-2-pyridineformaldehyde PubChem CID: 1501874 IUPAC Name: 3-methylpyridine-2-carbaldehyde SMILES: CC1=C(N=CC=C1)C=O
PubChem CID | 1501874 |
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CAS | 55589-47-4 |
Molecular Weight (g/mol) | 121.139 |
MDL Number | MFCD02181144 |
SMILES | CC1=C(N=CC=C1)C=O |
Synonym | 3-methylpicolinaldehyde,3-methyl-2-pyridinecarboxaldehyde,3-methylpyridine-2-carboxaldehyde,3-methyl-2-pyridinaldehyde,2-formyl-3-picoline,3-methyl-pyridine-2-carbaldehyde,2-formyl-3-methylpyridine,pyridinecarboxaldehyde, methyl,2-pyridinecarboxaldehyde, 3-methyl,3-methyl-2-pyridineformaldehyde |
IUPAC Name | 3-methylpyridine-2-carbaldehyde |
InChI Key | JDYVLWWFVYNMTN-UHFFFAOYSA-N |
Molecular Formula | C7H7NO |
4-Bromo-1-indanone, 97%
CAS: 15115-60-3 Molecular Formula: C9H7BrO Molecular Weight (g/mol): 211.06 MDL Number: MFCD01719772 InChI Key: UVVYFYLSZIMKMC-UHFFFAOYSA-N Synonym: 4-bromo-1-indanone,4-bromo-indan-1-one,4-bromoindan-1-one,4-bromo-2,3-dihydro-1h-inden-1-one,1-indanone, 4-bromo,4-bromohydrindone-1,1h-inden-1-one, 4-bromo-2,3-dihydro,4-bromoindanone,4-bromo indanone,4-bromo-indanone PubChem CID: 98713 IUPAC Name: 4-bromo-2,3-dihydroinden-1-one SMILES: BrC1=CC=CC2=C1CCC2=O
PubChem CID | 98713 |
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CAS | 15115-60-3 |
Molecular Weight (g/mol) | 211.06 |
MDL Number | MFCD01719772 |
SMILES | BrC1=CC=CC2=C1CCC2=O |
Synonym | 4-bromo-1-indanone,4-bromo-indan-1-one,4-bromoindan-1-one,4-bromo-2,3-dihydro-1h-inden-1-one,1-indanone, 4-bromo,4-bromohydrindone-1,1h-inden-1-one, 4-bromo-2,3-dihydro,4-bromoindanone,4-bromo indanone,4-bromo-indanone |
IUPAC Name | 4-bromo-2,3-dihydroinden-1-one |
InChI Key | UVVYFYLSZIMKMC-UHFFFAOYSA-N |
Molecular Formula | C9H7BrO |
Benzyl methyl malonate, 95%
CAS: 52267-39-7 Molecular Formula: C11H12O4 Molecular Weight (g/mol): 208.21 MDL Number: MFCD00008461 InChI Key: IAUZDBFOEWAQFE-UHFFFAOYSA-N Synonym: benzyl methyl malonate,1-benzyl 3-methyl propanedioate,malonic acid 1-benzyl 3-methyl ester,propanedioic acid, methyl phenylmethyl ester,benzylmethyl malonate,methyl benzyl malonate,acmc-1b0zd,benzyl methyl propanedioate,ksc493e1f PubChem CID: 572135 IUPAC Name: 3-O-benzyl 1-O-methyl propanedioate SMILES: COC(=O)CC(=O)OCC1=CC=CC=C1
PubChem CID | 572135 |
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CAS | 52267-39-7 |
Molecular Weight (g/mol) | 208.21 |
MDL Number | MFCD00008461 |
SMILES | COC(=O)CC(=O)OCC1=CC=CC=C1 |
Synonym | benzyl methyl malonate,1-benzyl 3-methyl propanedioate,malonic acid 1-benzyl 3-methyl ester,propanedioic acid, methyl phenylmethyl ester,benzylmethyl malonate,methyl benzyl malonate,acmc-1b0zd,benzyl methyl propanedioate,ksc493e1f |
IUPAC Name | 3-O-benzyl 1-O-methyl propanedioate |
InChI Key | IAUZDBFOEWAQFE-UHFFFAOYSA-N |
Molecular Formula | C11H12O4 |
5-Bromopyridine-3-carboxaldehyde, 97%
CAS: 113118-81-3 Molecular Formula: C6H4BrNO Molecular Weight (g/mol): 186.008 MDL Number: MFCD03265758 InChI Key: NGUVGKAEOFPLDT-UHFFFAOYSA-N Synonym: 5-bromonicotinaldehyde,5-bromo-3-pyridinecarboxaldehyde,5-bromo-3-formylpyridine,3-bromopyridine-5-carboxaldehyde,5-bromopyridine-3-carboxaldehyde,5-bromo-pyridine-3-carbaldehyde,3-bromo-5-formylpyridine,3-pyridinecarboxaldehyde, 5-bromo,3-bromopyridine-5-carbaldehyde,5-bromo-3-pyridinecarbaldehyde PubChem CID: 2784734 IUPAC Name: 5-bromopyridine-3-carbaldehyde SMILES: C1=C(C=NC=C1Br)C=O
PubChem CID | 2784734 |
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CAS | 113118-81-3 |
Molecular Weight (g/mol) | 186.008 |
MDL Number | MFCD03265758 |
SMILES | C1=C(C=NC=C1Br)C=O |
Synonym | 5-bromonicotinaldehyde,5-bromo-3-pyridinecarboxaldehyde,5-bromo-3-formylpyridine,3-bromopyridine-5-carboxaldehyde,5-bromopyridine-3-carboxaldehyde,5-bromo-pyridine-3-carbaldehyde,3-bromo-5-formylpyridine,3-pyridinecarboxaldehyde, 5-bromo,3-bromopyridine-5-carbaldehyde,5-bromo-3-pyridinecarbaldehyde |
IUPAC Name | 5-bromopyridine-3-carbaldehyde |
InChI Key | NGUVGKAEOFPLDT-UHFFFAOYSA-N |
Molecular Formula | C6H4BrNO |
4-(Trifluoromethyl)-1-indanone, 97%, Thermo Scientific Chemicals
CAS: 68755-42-0 Molecular Formula: C10H7F3O Molecular Weight (g/mol): 200.16 MDL Number: MFCD07772121 InChI Key: LJVBFMQEZSEGRL-UHFFFAOYSA-N Synonym: 4-trifluoromethyl-1-indanone,4-trifluoromethyl-2,3-dihydro-1h-inden-1-one,4-trifluoromethyl-2,3-dihydroinden-1-one,1h-inden-1-one, 2,3-dihydro-4-trifluoromethyl,4-trifluoromethyl indan-1-one,2,3-dihydro-4-trifluoromethyl-1h-inden-1-one, 2,3-dihydro-1-oxo-4-trifluoromethyl-1h-indene,acmc-1b8x3,2,3-dihydro-4-trifluoromethyl-1h-inden-1-one PubChem CID: 21921093 IUPAC Name: 4-(trifluoromethyl)-2,3-dihydroinden-1-one SMILES: C1CC(=O)C2=C1C(=CC=C2)C(F)(F)F
PubChem CID | 21921093 |
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CAS | 68755-42-0 |
Molecular Weight (g/mol) | 200.16 |
MDL Number | MFCD07772121 |
SMILES | C1CC(=O)C2=C1C(=CC=C2)C(F)(F)F |
Synonym | 4-trifluoromethyl-1-indanone,4-trifluoromethyl-2,3-dihydro-1h-inden-1-one,4-trifluoromethyl-2,3-dihydroinden-1-one,1h-inden-1-one, 2,3-dihydro-4-trifluoromethyl,4-trifluoromethyl indan-1-one,2,3-dihydro-4-trifluoromethyl-1h-inden-1-one, 2,3-dihydro-1-oxo-4-trifluoromethyl-1h-indene,acmc-1b8x3,2,3-dihydro-4-trifluoromethyl-1h-inden-1-one |
IUPAC Name | 4-(trifluoromethyl)-2,3-dihydroinden-1-one |
InChI Key | LJVBFMQEZSEGRL-UHFFFAOYSA-N |
Molecular Formula | C10H7F3O |