Benzenoids
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4-(Trifluoromethyl)phenylboronic Acid (contains varying amounts of Anhydride), TCI America™
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CAS: 128796-39-4 Molecular Formula: C7H6BF3O2 MDL Number: MFCD00151855 InChI Key: ALMFIOZYDASRRC-UHFFFAOYSA-N PubChem CID: 2734389 IUPAC Name: [4-(trifluoromethyl)phenyl]boronic acid
| PubChem CID | 2734389 |
|---|---|
| CAS | 128796-39-4 |
| MDL Number | MFCD00151855 |
| IUPAC Name | [4-(trifluoromethyl)phenyl]boronic acid |
| InChI Key | ALMFIOZYDASRRC-UHFFFAOYSA-N |
| Molecular Formula | C7H6BF3O2 |
Probenecid 98.0+%, TCI America™
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CAS: 57-66-9 Molecular Formula: C13H19NO4S Molecular Weight (g/mol): 285.36 MDL Number: MFCD00038402 InChI Key: DBABZHXKTCFAPX-UHFFFAOYSA-N Synonym: probenecid,4-dipropylsulfamoyl benzoic acid,probenecid acid,probecid,benecid,benemid,benuryl,probalan,probenemid,probexin PubChem CID: 4911 ChEBI: CHEBI:8426 IUPAC Name: 4-(dipropylsulfamoyl)benzoic acid SMILES: CCCN(CCC)S(=O)(=O)C1=CC=C(C=C1)C(O)=O
| PubChem CID | 4911 |
|---|---|
| CAS | 57-66-9 |
| Molecular Weight (g/mol) | 285.36 |
| ChEBI | CHEBI:8426 |
| MDL Number | MFCD00038402 |
| SMILES | CCCN(CCC)S(=O)(=O)C1=CC=C(C=C1)C(O)=O |
| Synonym | probenecid,4-dipropylsulfamoyl benzoic acid,probenecid acid,probecid,benecid,benemid,benuryl,probalan,probenemid,probexin |
| IUPAC Name | 4-(dipropylsulfamoyl)benzoic acid |
| InChI Key | DBABZHXKTCFAPX-UHFFFAOYSA-N |
| Molecular Formula | C13H19NO4S |
Tetrafluoroisophthalonitrile 98.0+%, TCI America™
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CAS: 2377-81-3 Molecular Formula: C8F4N2 Molecular Weight (g/mol): 200.10 MDL Number: MFCD00013290 InChI Key: WVHMPQKZPHOCRD-UHFFFAOYSA-N Synonym: tetrafluoroisophthalonitrile,2,4,5,6-tetrafluoroisophthalonitrile,perfluoroisophthalonitrile,tetrafluorobenzene-1,3-dicarbonitrile,1,3-benzenedicarbonitrile, 2,4,5,6-tetrafluoro,tetrafluoroisopthalonitrile,m-dicyanotetrafluorobenzene,acmc-209g5p,1,3-dicyanoperfluorobenzene PubChem CID: 608182 IUPAC Name: tetrafluorobenzene-1,3-dicarbonitrile SMILES: FC1=C(F)C(C#N)=C(F)C(C#N)=C1F
| PubChem CID | 608182 |
|---|---|
| CAS | 2377-81-3 |
| Molecular Weight (g/mol) | 200.10 |
| MDL Number | MFCD00013290 |
| SMILES | FC1=C(F)C(C#N)=C(F)C(C#N)=C1F |
| Synonym | tetrafluoroisophthalonitrile,2,4,5,6-tetrafluoroisophthalonitrile,perfluoroisophthalonitrile,tetrafluorobenzene-1,3-dicarbonitrile,1,3-benzenedicarbonitrile, 2,4,5,6-tetrafluoro,tetrafluoroisopthalonitrile,m-dicyanotetrafluorobenzene,acmc-209g5p,1,3-dicyanoperfluorobenzene |
| IUPAC Name | tetrafluorobenzene-1,3-dicarbonitrile |
| InChI Key | WVHMPQKZPHOCRD-UHFFFAOYSA-N |
| Molecular Formula | C8F4N2 |
4-Bromo-alpha-methylbenzyl Alcohol 99.0+%, TCI America™
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CAS: 5391-88-8 Molecular Formula: C8H9BrO Molecular Weight (g/mol): 201.06 MDL Number: MFCD00004514,MFCD06201860,MFCD06201861 InChI Key: XTDTYSBVMBQIBT-UHFFFAOYNA-N Synonym: 1-4-bromophenyl ethanol,4-bromo-alpha-methylbenzyl alcohol,1-4-bromophenyl ethan-1-ol,4-bromophenyl methyl carbinol,p-bromophenylmethylcarbinol,4-bromophenylmethylcarbinol,4-bromo-a-methylbenzyl alcohol,benzenemethanol, 4-bromo-alpha-methyl,benzyl alcohol, p-bromo-.alpha.-methyl,benzenemethanol, 4-bromo-.alpha.-methyl PubChem CID: 95352 IUPAC Name: 1-(4-bromophenyl)ethan-1-ol SMILES: CC(O)C1=CC=C(Br)C=C1
| PubChem CID | 95352 |
|---|---|
| CAS | 5391-88-8 |
| Molecular Weight (g/mol) | 201.06 |
| MDL Number | MFCD00004514,MFCD06201860,MFCD06201861 |
| SMILES | CC(O)C1=CC=C(Br)C=C1 |
| Synonym | 1-4-bromophenyl ethanol,4-bromo-alpha-methylbenzyl alcohol,1-4-bromophenyl ethan-1-ol,4-bromophenyl methyl carbinol,p-bromophenylmethylcarbinol,4-bromophenylmethylcarbinol,4-bromo-a-methylbenzyl alcohol,benzenemethanol, 4-bromo-alpha-methyl,benzyl alcohol, p-bromo-.alpha.-methyl,benzenemethanol, 4-bromo-.alpha.-methyl |
| IUPAC Name | 1-(4-bromophenyl)ethan-1-ol |
| InChI Key | XTDTYSBVMBQIBT-UHFFFAOYNA-N |
| Molecular Formula | C8H9BrO |
Methylthiomethyl p-Tolyl Sulfone 98.0+%, TCI America™
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CAS: 59662-65-6 Molecular Formula: C9H12O2S2 Molecular Weight (g/mol): 216.313 MDL Number: MFCD00010750 InChI Key: XAARLLNXZJTFPQ-UHFFFAOYSA-N Synonym: methylthiomethyl p-tolyl sulfone,methyl tosylmethyl sulfane,mt-sulfone,methylmercaptomethyl p-tolyl sulfone,1-methyl-4-methylsulfanylmethylsulfonyl benzene,1-methyl-4-methylsulfanyl methanesulfonylbenzene,methylthiomethylp-tolylsulfone,acmc-209mf0,methyl thiomethyl p-tolylsulfone,xaarllnxzjtfpq-uhfffaoysa PubChem CID: 548421 IUPAC Name: 1-methyl-4-(methylsulfanylmethylsulfonyl)benzene SMILES: CC1=CC=C(C=C1)S(=O)(=O)CSC
| PubChem CID | 548421 |
|---|---|
| CAS | 59662-65-6 |
| Molecular Weight (g/mol) | 216.313 |
| MDL Number | MFCD00010750 |
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)CSC |
| Synonym | methylthiomethyl p-tolyl sulfone,methyl tosylmethyl sulfane,mt-sulfone,methylmercaptomethyl p-tolyl sulfone,1-methyl-4-methylsulfanylmethylsulfonyl benzene,1-methyl-4-methylsulfanyl methanesulfonylbenzene,methylthiomethylp-tolylsulfone,acmc-209mf0,methyl thiomethyl p-tolylsulfone,xaarllnxzjtfpq-uhfffaoysa |
| IUPAC Name | 1-methyl-4-(methylsulfanylmethylsulfonyl)benzene |
| InChI Key | XAARLLNXZJTFPQ-UHFFFAOYSA-N |
| Molecular Formula | C9H12O2S2 |
N-[(9H-Fluoren-9-ylmethoxy)carbonyloxy]succinimide 98.0+%, TCI America™
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CAS: 82911-69-1 Molecular Formula: C19H15NO5 Molecular Weight (g/mol): 337.331 MDL Number: MFCD00010733 InChI Key: WMSUFWLPZLCIHP-UHFFFAOYSA-N Synonym: fmoc-osu,n-9-fluorenylmethoxycarbonyloxy succinimide,fmoc-onsu,9-fluorenylmethyl succinimidyl carbonate,fmoc n-hydroxysuccinimide ester,9h-fluoren-9-yl methyl 2,5-dioxopyrrolidin-1-yl carbonate,9-fluorenylmethyl n-succinimidyl carbonate,9-fluorenylmethylsuccinimidyl carbonate,9-fluorenylmethoxycarbonyl-n-hydroxysuccinimide PubChem CID: 134122 IUPAC Name: (2,5-dioxopyrrolidin-1-yl) 9H-fluoren-9-ylmethyl carbonate SMILES: C1CC(=O)N(C1=O)OC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24
| PubChem CID | 134122 |
|---|---|
| CAS | 82911-69-1 |
| Molecular Weight (g/mol) | 337.331 |
| MDL Number | MFCD00010733 |
| SMILES | C1CC(=O)N(C1=O)OC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24 |
| Synonym | fmoc-osu,n-9-fluorenylmethoxycarbonyloxy succinimide,fmoc-onsu,9-fluorenylmethyl succinimidyl carbonate,fmoc n-hydroxysuccinimide ester,9h-fluoren-9-yl methyl 2,5-dioxopyrrolidin-1-yl carbonate,9-fluorenylmethyl n-succinimidyl carbonate,9-fluorenylmethylsuccinimidyl carbonate,9-fluorenylmethoxycarbonyl-n-hydroxysuccinimide |
| IUPAC Name | (2,5-dioxopyrrolidin-1-yl) 9H-fluoren-9-ylmethyl carbonate |
| InChI Key | WMSUFWLPZLCIHP-UHFFFAOYSA-N |
| Molecular Formula | C19H15NO5 |
Methyl 4-(Trifluoromethyl)benzoate 98.0+%, TCI America™
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CAS: 2967-66-0 Molecular Formula: C9H7F3O2 Molecular Weight (g/mol): 204.15 MDL Number: MFCD00042324 InChI Key: VAZWXPJOOFSNLB-UHFFFAOYSA-N Synonym: methyl 4-trifluoromethyl benzoate,methyl-4-trifluoromethyl benzoate,4-trifluoromethyl benzoic acid methyl ester,methyl-4-trifluoromethylbenzoate,3-cf3-c6h4-cooch3,methyl p-trifluoromethyl benzoate,methyl alpha,alpha,alpha-trifluoro-p-toluate,benzoic acid, 4-trifluoromethyl-, methyl ester,pubchem14120,acmc-209hab PubChem CID: 520447 IUPAC Name: methyl 4-(trifluoromethyl)benzoate SMILES: COC(=O)C1=CC=C(C=C1)C(F)(F)F
| PubChem CID | 520447 |
|---|---|
| CAS | 2967-66-0 |
| Molecular Weight (g/mol) | 204.15 |
| MDL Number | MFCD00042324 |
| SMILES | COC(=O)C1=CC=C(C=C1)C(F)(F)F |
| Synonym | methyl 4-trifluoromethyl benzoate,methyl-4-trifluoromethyl benzoate,4-trifluoromethyl benzoic acid methyl ester,methyl-4-trifluoromethylbenzoate,3-cf3-c6h4-cooch3,methyl p-trifluoromethyl benzoate,methyl alpha,alpha,alpha-trifluoro-p-toluate,benzoic acid, 4-trifluoromethyl-, methyl ester,pubchem14120,acmc-209hab |
| IUPAC Name | methyl 4-(trifluoromethyl)benzoate |
| InChI Key | VAZWXPJOOFSNLB-UHFFFAOYSA-N |
| Molecular Formula | C9H7F3O2 |
6,12-Dibromochrysene 98.0+%, TCI America™
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CAS: 131222-99-6 Molecular Formula: C18H10Br2 Molecular Weight (g/mol): 386.09 MDL Number: MFCD00092281 InChI Key: RULVBMDEPWAFIN-UHFFFAOYSA-N Synonym: 6,12-dibromochryscene,chrysene, 6,12-ibromo,chrysene, 6,12-dibromo,acmc-1c5x4,6,12-bis bromanyl chrysene,6,12-dibromochrysen PubChem CID: 3286225 IUPAC Name: 6,12-dibromochrysene SMILES: BrC1=CC2=C(C=C(Br)C3=CC=CC=C23)C2=CC=CC=C12
| PubChem CID | 3286225 |
|---|---|
| CAS | 131222-99-6 |
| Molecular Weight (g/mol) | 386.09 |
| MDL Number | MFCD00092281 |
| SMILES | BrC1=CC2=C(C=C(Br)C3=CC=CC=C23)C2=CC=CC=C12 |
| Synonym | 6,12-dibromochryscene,chrysene, 6,12-ibromo,chrysene, 6,12-dibromo,acmc-1c5x4,6,12-bis bromanyl chrysene,6,12-dibromochrysen |
| IUPAC Name | 6,12-dibromochrysene |
| InChI Key | RULVBMDEPWAFIN-UHFFFAOYSA-N |
| Molecular Formula | C18H10Br2 |
2-Bromophenylacetic Acid 98.0+%, TCI America™
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CAS: 18698-97-0 Molecular Formula: C8H7BrO2 Molecular Weight (g/mol): 215.046 MDL Number: MFCD00004314 InChI Key: DWXSYDKEWORWBT-UHFFFAOYSA-N Synonym: 2-bromophenylacetic acid,2-2-bromophenyl acetic acid,o-bromophenylacetic acid,2-bromophenyl acetic acid,benzeneacetic acid, 2-bromo,2-bromophenylaceticacid,2-bromo-phenyl-acetic acid,pubchem7214,acmc-1btqg PubChem CID: 87754 IUPAC Name: 2-(2-bromophenyl)acetic acid SMILES: C1=CC=C(C(=C1)CC(=O)O)Br
| PubChem CID | 87754 |
|---|---|
| CAS | 18698-97-0 |
| Molecular Weight (g/mol) | 215.046 |
| MDL Number | MFCD00004314 |
| SMILES | C1=CC=C(C(=C1)CC(=O)O)Br |
| Synonym | 2-bromophenylacetic acid,2-2-bromophenyl acetic acid,o-bromophenylacetic acid,2-bromophenyl acetic acid,benzeneacetic acid, 2-bromo,2-bromophenylaceticacid,2-bromo-phenyl-acetic acid,pubchem7214,acmc-1btqg |
| IUPAC Name | 2-(2-bromophenyl)acetic acid |
| InChI Key | DWXSYDKEWORWBT-UHFFFAOYSA-N |
| Molecular Formula | C8H7BrO2 |
Methyl Thiosalicylate 98.0+%, TCI America™
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CAS: 4892-02-8 Molecular Formula: C8H8O2S Molecular Weight (g/mol): 168.21 MDL Number: MFCD00060678 InChI Key: BAQGCWNPCFABAY-UHFFFAOYSA-N Synonym: methyl thiosalicylate,methyl 2-mercaptobenzoate,methyl o-mercaptobenzoate,usaf ma-15,benzoic acid, 2-mercapto-, methyl ester,methyl-o-mercaptobenzoate,methyl-2-mercaptobenzoate,benzoic acid, o-mercapto-, methyl ester,2-methoxycarbonyl thiophenol,2-mercaptobenzoic acid methyl ester PubChem CID: 21009 IUPAC Name: methyl 2-sulfanylbenzoate SMILES: COC(=O)C1=CC=CC=C1S
| PubChem CID | 21009 |
|---|---|
| CAS | 4892-02-8 |
| Molecular Weight (g/mol) | 168.21 |
| MDL Number | MFCD00060678 |
| SMILES | COC(=O)C1=CC=CC=C1S |
| Synonym | methyl thiosalicylate,methyl 2-mercaptobenzoate,methyl o-mercaptobenzoate,usaf ma-15,benzoic acid, 2-mercapto-, methyl ester,methyl-o-mercaptobenzoate,methyl-2-mercaptobenzoate,benzoic acid, o-mercapto-, methyl ester,2-methoxycarbonyl thiophenol,2-mercaptobenzoic acid methyl ester |
| IUPAC Name | methyl 2-sulfanylbenzoate |
| InChI Key | BAQGCWNPCFABAY-UHFFFAOYSA-N |
| Molecular Formula | C8H8O2S |
4-(4-Methoxyphenyl)-2-butanone 97.0+%, TCI America™
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CAS: 104-20-1 Molecular Formula: C11H14O2 Molecular Weight (g/mol): 178.23 MDL Number: MFCD00008791 InChI Key: PCBSXBYCASFXTM-UHFFFAOYSA-N Synonym: 4-4-methoxyphenyl-2-butanone,anisylacetone,4-4-methoxyphenyl butan-2-one,4-methoxybenzylacetone,raspberry ketone methyl ether,2-butanone, 4-4-methoxyphenyl,anisylacetone, p,4-p-methoxyphenyl-2-butanone,methyl oxanone,1-4-methoxyphenyl-3-butanone PubChem CID: 61007 IUPAC Name: 4-(4-methoxyphenyl)butan-2-one SMILES: COC1=CC=C(CCC(C)=O)C=C1
| PubChem CID | 61007 |
|---|---|
| CAS | 104-20-1 |
| Molecular Weight (g/mol) | 178.23 |
| MDL Number | MFCD00008791 |
| SMILES | COC1=CC=C(CCC(C)=O)C=C1 |
| Synonym | 4-4-methoxyphenyl-2-butanone,anisylacetone,4-4-methoxyphenyl butan-2-one,4-methoxybenzylacetone,raspberry ketone methyl ether,2-butanone, 4-4-methoxyphenyl,anisylacetone, p,4-p-methoxyphenyl-2-butanone,methyl oxanone,1-4-methoxyphenyl-3-butanone |
| IUPAC Name | 4-(4-methoxyphenyl)butan-2-one |
| InChI Key | PCBSXBYCASFXTM-UHFFFAOYSA-N |
| Molecular Formula | C11H14O2 |
4,4'-Diaminodiphenylmethane 98.0+%, TCI America™
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CAS: 101-77-9 Molecular Formula: C13H14N2 Molecular Weight (g/mol): 198.27 MDL Number: MFCD00007914 InChI Key: YBRVSVVVWCFQMG-UHFFFAOYSA-N Synonym: 4,4'-methylenedianiline,4,4'-diaminodiphenylmethane,dadpm,methylenedianiline,dianilinomethane,tonox,p,p'-methylenedianiline,dianilinemethane,bis 4-aminophenyl methane,4-4-aminobenzyl aniline PubChem CID: 7577 ChEBI: CHEBI:32506 IUPAC Name: 4-[(4-aminophenyl)methyl]aniline SMILES: NC1=CC=C(CC2=CC=C(N)C=C2)C=C1
| PubChem CID | 7577 |
|---|---|
| CAS | 101-77-9 |
| Molecular Weight (g/mol) | 198.27 |
| ChEBI | CHEBI:32506 |
| MDL Number | MFCD00007914 |
| SMILES | NC1=CC=C(CC2=CC=C(N)C=C2)C=C1 |
| Synonym | 4,4'-methylenedianiline,4,4'-diaminodiphenylmethane,dadpm,methylenedianiline,dianilinomethane,tonox,p,p'-methylenedianiline,dianilinemethane,bis 4-aminophenyl methane,4-4-aminobenzyl aniline |
| IUPAC Name | 4-[(4-aminophenyl)methyl]aniline |
| InChI Key | YBRVSVVVWCFQMG-UHFFFAOYSA-N |
| Molecular Formula | C13H14N2 |
N-[(9H-Fluoren-9-ylmethoxy)carbonyl]-L-alanine Hydrate 98.0+%, TCI America™
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CAS: 35661-39-3 Molecular Formula: C18H17NO4 Molecular Weight (g/mol): 311.337 MDL Number: MFCD00037139 InChI Key: QWXZOFZKSQXPDC-NSHDSACASA-N Synonym: fmoc-ala-oh,fmoc-l-alanine,fmoc-l-alpha-alanine,9-fmoc-l-alanine,fmoc-l-ala-oh,n-fmoc-l-alanine,n-9h-fluoren-9-ylmethoxy carbonyl-l-alanine,n-9-fluorenylmethoxycarbonyl-l-alanine,fmoc-alanine,fmoc-l-ala PubChem CID: 6364642 IUPAC Name: (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid SMILES: CC(C(=O)O)NC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13
| PubChem CID | 6364642 |
|---|---|
| CAS | 35661-39-3 |
| Molecular Weight (g/mol) | 311.337 |
| MDL Number | MFCD00037139 |
| SMILES | CC(C(=O)O)NC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13 |
| Synonym | fmoc-ala-oh,fmoc-l-alanine,fmoc-l-alpha-alanine,9-fmoc-l-alanine,fmoc-l-ala-oh,n-fmoc-l-alanine,n-9h-fluoren-9-ylmethoxy carbonyl-l-alanine,n-9-fluorenylmethoxycarbonyl-l-alanine,fmoc-alanine,fmoc-l-ala |
| IUPAC Name | (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid |
| InChI Key | QWXZOFZKSQXPDC-NSHDSACASA-N |
| Molecular Formula | C18H17NO4 |
3-Bromo-2-fluorobenzaldehyde 98.0+%, TCI America™
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CAS: 149947-15-9 Molecular Formula: C7H4BrFO Molecular Weight (g/mol): 203.01 MDL Number: MFCD09027089 InChI Key: OUAZPCKRSSEQKB-UHFFFAOYSA-N Synonym: 3-bromo-2-fluorobenzenecarbaldehyde,3-bromo-2-fluorobenzadehyde,2-fluoro-3-bromobenzaldehyde,benzaldehyde,3-bromo-2-fluoro,benzaldehyde, 3-bromo-2-fluoro,3-bromofluorobenzaldehyde,intermediates-zcf02145,acmc-209d3i,3-bromo-2-fluoro-benzaldehyde,3-bromanyl-2-fluoranyl-benzaldehyde PubChem CID: 22019361 IUPAC Name: 3-bromo-2-fluorobenzaldehyde SMILES: C1=CC(=C(C(=C1)Br)F)C=O
| PubChem CID | 22019361 |
|---|---|
| CAS | 149947-15-9 |
| Molecular Weight (g/mol) | 203.01 |
| MDL Number | MFCD09027089 |
| SMILES | C1=CC(=C(C(=C1)Br)F)C=O |
| Synonym | 3-bromo-2-fluorobenzenecarbaldehyde,3-bromo-2-fluorobenzadehyde,2-fluoro-3-bromobenzaldehyde,benzaldehyde,3-bromo-2-fluoro,benzaldehyde, 3-bromo-2-fluoro,3-bromofluorobenzaldehyde,intermediates-zcf02145,acmc-209d3i,3-bromo-2-fluoro-benzaldehyde,3-bromanyl-2-fluoranyl-benzaldehyde |
| IUPAC Name | 3-bromo-2-fluorobenzaldehyde |
| InChI Key | OUAZPCKRSSEQKB-UHFFFAOYSA-N |
| Molecular Formula | C7H4BrFO |
3,4,5-Trifluorophenol 98.0+%, TCI America™
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CAS: 99627-05-1 Molecular Formula: C6H3F3O Molecular Weight (g/mol): 148.084 MDL Number: MFCD00042427 InChI Key: ZRTWIJKGTUGZJY-UHFFFAOYSA-N PubChem CID: 2777943 IUPAC Name: 3,4,5-trifluorophenol SMILES: C1=C(C=C(C(=C1F)F)F)O
| PubChem CID | 2777943 |
|---|---|
| CAS | 99627-05-1 |
| Molecular Weight (g/mol) | 148.084 |
| MDL Number | MFCD00042427 |
| SMILES | C1=C(C=C(C(=C1F)F)F)O |
| IUPAC Name | 3,4,5-trifluorophenol |
| InChI Key | ZRTWIJKGTUGZJY-UHFFFAOYSA-N |
| Molecular Formula | C6H3F3O |