
Organooxygen compounds
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Bis(hexafluoroacetylacetonato)nickel(II) Hydrate, TCI America™
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CAS: 14949-69-0 Molecular Formula: C10H2F12NiO4 Molecular Weight (g/mol): 472.80 MDL Number: MFCD00150916 InChI Key: FOYNQRGOWAMUBM-UHFFFAOYSA-N Synonym: Hexafluoroacetylacetono Nickel(II) Salt, Nickel(II) Hexafluoroacetylacetonate PubChem CID: 56965474 IUPAC Name: nickel(2+) bis(1,1,1,5,5,5-hexafluoro-2,4-dioxopentan-3-ide) SMILES: [Ni++].FC(F)(F)C(=O)[CH-]C(=O)C(F)(F)F.FC(F)(F)C(=O)[CH-]C(=O)C(F)(F)F
PubChem CID | 56965474 |
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CAS | 14949-69-0 |
Molecular Weight (g/mol) | 472.80 |
MDL Number | MFCD00150916 |
SMILES | [Ni++].FC(F)(F)C(=O)[CH-]C(=O)C(F)(F)F.FC(F)(F)C(=O)[CH-]C(=O)C(F)(F)F |
Synonym | Hexafluoroacetylacetono Nickel(II) Salt, Nickel(II) Hexafluoroacetylacetonate |
IUPAC Name | nickel(2+) bis(1,1,1,5,5,5-hexafluoro-2,4-dioxopentan-3-ide) |
InChI Key | FOYNQRGOWAMUBM-UHFFFAOYSA-N |
Molecular Formula | C10H2F12NiO4 |
2,4-Hexadienal 95.0+%, TCI America™
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CAS: 142-83-6 Molecular Formula: C6H8O Molecular Weight (g/mol): 96.129 MDL Number: MFCD00007004 InChI Key: BATOPAZDIZEVQF-MQQKCMAXSA-N Synonym: 2,4-hexadienal,hexa-2,4-dienal,sorbaldehyde,sorbic aldehyde,trans,trans-2,4-hexadienal,2e,4e-hexa-2,4-dienal,2,4-hexadienal, 2e,4e,2,4-hexadienal, e,e,2-propyleneacrolein,3-propyleneacrolein PubChem CID: 637564 ChEBI: CHEBI:82334 IUPAC Name: (2E,4E)-hexa-2,4-dienal SMILES: CC=CC=CC=O
PubChem CID | 637564 |
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CAS | 142-83-6 |
Molecular Weight (g/mol) | 96.129 |
ChEBI | CHEBI:82334 |
MDL Number | MFCD00007004 |
SMILES | CC=CC=CC=O |
Synonym | 2,4-hexadienal,hexa-2,4-dienal,sorbaldehyde,sorbic aldehyde,trans,trans-2,4-hexadienal,2e,4e-hexa-2,4-dienal,2,4-hexadienal, 2e,4e,2,4-hexadienal, e,e,2-propyleneacrolein,3-propyleneacrolein |
IUPAC Name | (2E,4E)-hexa-2,4-dienal |
InChI Key | BATOPAZDIZEVQF-MQQKCMAXSA-N |
Molecular Formula | C6H8O |
Hexahydroxybenzene 98.0+%, TCI America™
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CAS: 608-80-0 Molecular Formula: C6H6O6 Molecular Weight (g/mol): 174.11 MDL Number: MFCD00013966 InChI Key: VWPUAXALDFFXJW-UHFFFAOYSA-N PubChem CID: 69102 IUPAC Name: benzene-1,2,3,4,5,6-hexol SMILES: OC1=C(O)C(O)=C(O)C(O)=C1O
PubChem CID | 69102 |
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CAS | 608-80-0 |
Molecular Weight (g/mol) | 174.11 |
MDL Number | MFCD00013966 |
SMILES | OC1=C(O)C(O)=C(O)C(O)=C1O |
IUPAC Name | benzene-1,2,3,4,5,6-hexol |
InChI Key | VWPUAXALDFFXJW-UHFFFAOYSA-N |
Molecular Formula | C6H6O6 |
4-Hydroxymethyl-5-methylimidazole Hydrochloride 98.0+%, TCI America™
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CAS: 38585-62-5 Molecular Formula: C5H9ClN2O Molecular Weight (g/mol): 148.59 MDL Number: MFCD00040986 InChI Key: UBHDUFNPQJWPRQ-UHFFFAOYSA-N Synonym: 4-methyl-5-imidazolemethanol hydrochloride,4-methyl-1h-imidazol-5-yl methanol hydrochloride,5-methyl-1h-imidazol-4-yl methanol hydrochloride,4-hydroxymethyl-5-methylimidazole hydrochloride,4-methylimidazol-5-ylmethanolhydrochloride,4-methyl-5-hydroxymethyl imidazole hydrochloride,1h-imidazole-4-methanol, 5-methyl-, monohydrochloride,5-hydroxymethyl-4-methylimidazole hcl,4-methyl-5-hydroxymethylimidazole hydrochloride,4-methyl-5-hydroxymethyl-imidazole hydrochloride PubChem CID: 3084707 IUPAC Name: hydrogen (5-methyl-1H-imidazol-4-yl)methanol chloride SMILES: [H+].[Cl-].CC1=C(CO)N=CN1
PubChem CID | 3084707 |
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CAS | 38585-62-5 |
Molecular Weight (g/mol) | 148.59 |
MDL Number | MFCD00040986 |
SMILES | [H+].[Cl-].CC1=C(CO)N=CN1 |
Synonym | 4-methyl-5-imidazolemethanol hydrochloride,4-methyl-1h-imidazol-5-yl methanol hydrochloride,5-methyl-1h-imidazol-4-yl methanol hydrochloride,4-hydroxymethyl-5-methylimidazole hydrochloride,4-methylimidazol-5-ylmethanolhydrochloride,4-methyl-5-hydroxymethyl imidazole hydrochloride,1h-imidazole-4-methanol, 5-methyl-, monohydrochloride,5-hydroxymethyl-4-methylimidazole hcl,4-methyl-5-hydroxymethylimidazole hydrochloride,4-methyl-5-hydroxymethyl-imidazole hydrochloride |
IUPAC Name | hydrogen (5-methyl-1H-imidazol-4-yl)methanol chloride |
InChI Key | UBHDUFNPQJWPRQ-UHFFFAOYSA-N |
Molecular Formula | C5H9ClN2O |
cis-11-Hexadecenal 95.0+%, TCI America™
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CAS: 53939-28-9 Molecular Formula: C16H30O Molecular Weight (g/mol): 238.42 MDL Number: MFCD00010124 InChI Key: AMTITFMUKRZZEE-WAYWQWQTSA-N Synonym: cis-11-Hexadecenyl Aldehyde PubChem CID: 5364495 IUPAC Name: (11Z)-hexadec-11-enal SMILES: CCCC\C=C/CCCCCCCCCC=O
PubChem CID | 5364495 |
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CAS | 53939-28-9 |
Molecular Weight (g/mol) | 238.42 |
MDL Number | MFCD00010124 |
SMILES | CCCC\C=C/CCCCCCCCCC=O |
Synonym | cis-11-Hexadecenyl Aldehyde |
IUPAC Name | (11Z)-hexadec-11-enal |
InChI Key | AMTITFMUKRZZEE-WAYWQWQTSA-N |
Molecular Formula | C16H30O |
4'-Heptylacetophenone 96.0+%, TCI America™
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CAS: 37593-03-6 Molecular Formula: C15H22O Molecular Weight (g/mol): 218.34 MDL Number: MFCD00038342 InChI Key: UQBRZOXCKKBKDU-UHFFFAOYSA-N Synonym: 4'-heptylacetophenone,p-heptylacetophenone,ethanone, 1-4-heptylphenyl,p-n-heptylacetophenone,1-4-heptylphenyl ethanone,1-4-heptylphenyl ethan-1-one,4'-n-heptylacetophenone,4-heptylacetophenone,1-acetyl-4-heptylbenzene,acmc-209iu8 PubChem CID: 98879 IUPAC Name: 1-(4-heptylphenyl)ethanone SMILES: CCCCCCCC1=CC=C(C=C1)C(=O)C
PubChem CID | 98879 |
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CAS | 37593-03-6 |
Molecular Weight (g/mol) | 218.34 |
MDL Number | MFCD00038342 |
SMILES | CCCCCCCC1=CC=C(C=C1)C(=O)C |
Synonym | 4'-heptylacetophenone,p-heptylacetophenone,ethanone, 1-4-heptylphenyl,p-n-heptylacetophenone,1-4-heptylphenyl ethanone,1-4-heptylphenyl ethan-1-one,4'-n-heptylacetophenone,4-heptylacetophenone,1-acetyl-4-heptylbenzene,acmc-209iu8 |
IUPAC Name | 1-(4-heptylphenyl)ethanone |
InChI Key | UQBRZOXCKKBKDU-UHFFFAOYSA-N |
Molecular Formula | C15H22O |
2-Hydroxy-4-methoxybenzaldehyde 98.0+%, TCI America™
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CAS: 673-22-3 Molecular Formula: C8H8O3 Molecular Weight (g/mol): 152.15 MDL Number: MFCD00003327 InChI Key: WZUODJNEIXSNEU-UHFFFAOYSA-N Synonym: 4-methoxysalicylaldehyde,benzaldehyde, 2-hydroxy-4-methoxy,4-methoxysalicyaldehyde,2-hydroxy-4-methoxy-benzaldehyde,o-hydroxy-p-methoxybenzaldehyde,p-anisaldehyde, 2-hydroxy,salicylaldehyde, 4-methoxy,2-hydroxy-p-anisaldehyde,2-formyl-5-methoxyphenol,unii-2n395p88lw PubChem CID: 69600 IUPAC Name: 2-hydroxy-4-methoxybenzaldehyde SMILES: COC1=CC=C(C=O)C(O)=C1
PubChem CID | 69600 |
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CAS | 673-22-3 |
Molecular Weight (g/mol) | 152.15 |
MDL Number | MFCD00003327 |
SMILES | COC1=CC=C(C=O)C(O)=C1 |
Synonym | 4-methoxysalicylaldehyde,benzaldehyde, 2-hydroxy-4-methoxy,4-methoxysalicyaldehyde,2-hydroxy-4-methoxy-benzaldehyde,o-hydroxy-p-methoxybenzaldehyde,p-anisaldehyde, 2-hydroxy,salicylaldehyde, 4-methoxy,2-hydroxy-p-anisaldehyde,2-formyl-5-methoxyphenol,unii-2n395p88lw |
IUPAC Name | 2-hydroxy-4-methoxybenzaldehyde |
InChI Key | WZUODJNEIXSNEU-UHFFFAOYSA-N |
Molecular Formula | C8H8O3 |
3-Hexyn-2-one 95.0+%, TCI America™
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CAS: 1679-36-3 Molecular Formula: C6H8O Molecular Weight (g/mol): 96.129 MDL Number: MFCD00041627 InChI Key: LTAPKZGQTMVYMX-UHFFFAOYSA-N Synonym: 3-hexyn-2-one,2-oxo-3-hexyne,acmc-209dxd,1-butynyl methyl ketone PubChem CID: 137151 IUPAC Name: hex-3-yn-2-one SMILES: CCC#CC(=O)C
PubChem CID | 137151 |
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CAS | 1679-36-3 |
Molecular Weight (g/mol) | 96.129 |
MDL Number | MFCD00041627 |
SMILES | CCC#CC(=O)C |
Synonym | 3-hexyn-2-one,2-oxo-3-hexyne,acmc-209dxd,1-butynyl methyl ketone |
IUPAC Name | hex-3-yn-2-one |
InChI Key | LTAPKZGQTMVYMX-UHFFFAOYSA-N |
Molecular Formula | C6H8O |
2'-Hydroxy-4'-methoxyacetophenone 98.0+%, TCI America™
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CAS: 552-41-0 Molecular Formula: C9H10O3 Molecular Weight (g/mol): 166.176 MDL Number: MFCD00008730 InChI Key: UILPJVPSNHJFIK-UHFFFAOYSA-N Synonym: paeonol,2'-hydroxy-4'-methoxyacetophenone,1-2-hydroxy-4-methoxyphenyl ethanone,peonol,2-hydroxy-4-methoxyacetophenone,1-2-hydroxy-4-methoxyphenyl ethan-1-one,resacetophenone-4-methyl ether,ethanone, 1-2-hydroxy-4-methoxyphenyl,paeonal,paeonolum PubChem CID: 11092 ChEBI: CHEBI:69581 IUPAC Name: 1-(2-hydroxy-4-methoxyphenyl)ethanone SMILES: CC(=O)C1=C(C=C(C=C1)OC)O
PubChem CID | 11092 |
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CAS | 552-41-0 |
Molecular Weight (g/mol) | 166.176 |
ChEBI | CHEBI:69581 |
MDL Number | MFCD00008730 |
SMILES | CC(=O)C1=C(C=C(C=C1)OC)O |
Synonym | paeonol,2'-hydroxy-4'-methoxyacetophenone,1-2-hydroxy-4-methoxyphenyl ethanone,peonol,2-hydroxy-4-methoxyacetophenone,1-2-hydroxy-4-methoxyphenyl ethan-1-one,resacetophenone-4-methyl ether,ethanone, 1-2-hydroxy-4-methoxyphenyl,paeonal,paeonolum |
IUPAC Name | 1-(2-hydroxy-4-methoxyphenyl)ethanone |
InChI Key | UILPJVPSNHJFIK-UHFFFAOYSA-N |
Molecular Formula | C9H10O3 |
2'-Hydroxy-5'-methylacetophenone 98.0+%, TCI America™
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CAS: 1450-72-2 Molecular Formula: C9H10O2 Molecular Weight (g/mol): 150.177 MDL Number: MFCD00002380 InChI Key: YNPDFBFVMJNGKZ-UHFFFAOYSA-N Synonym: 2'-hydroxy-5'-methylacetophenone,1-2-hydroxy-5-methylphenyl ethanone,2-hydroxy-5-methylacetophenone,o-acetyl-p-cresol,ethanone, 1-2-hydroxy-5-methylphenyl,2-acetyl-4-methylphenol,1-2-hydroxy-5-methylphenyl ethan-1-one,1-hydroxy-2-acetyl-4-methylbenzene,1-2-hydroxy-5-methyl-phenyl-ethanone,unii-11661u1zen PubChem CID: 15068 IUPAC Name: 1-(2-hydroxy-5-methylphenyl)ethanone SMILES: CC1=CC(=C(C=C1)O)C(=O)C
PubChem CID | 15068 |
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CAS | 1450-72-2 |
Molecular Weight (g/mol) | 150.177 |
MDL Number | MFCD00002380 |
SMILES | CC1=CC(=C(C=C1)O)C(=O)C |
Synonym | 2'-hydroxy-5'-methylacetophenone,1-2-hydroxy-5-methylphenyl ethanone,2-hydroxy-5-methylacetophenone,o-acetyl-p-cresol,ethanone, 1-2-hydroxy-5-methylphenyl,2-acetyl-4-methylphenol,1-2-hydroxy-5-methylphenyl ethan-1-one,1-hydroxy-2-acetyl-4-methylbenzene,1-2-hydroxy-5-methyl-phenyl-ethanone,unii-11661u1zen |
IUPAC Name | 1-(2-hydroxy-5-methylphenyl)ethanone |
InChI Key | YNPDFBFVMJNGKZ-UHFFFAOYSA-N |
Molecular Formula | C9H10O2 |
(R,R)-(+)-Hydrobenzoin 99.0+%, TCI America™
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CAS: 52340-78-0 Molecular Formula: C14H14O2 Molecular Weight (g/mol): 214.264 MDL Number: MFCD00064254 InChI Key: IHPDTPWNFBQHEB-ZIAGYGMSSA-N Synonym: r,r-+-hydrobenzoin,1r,2r-1,2-diphenylethane-1,2-diol,r,r-hydrobenzoin,+-hydrobenzoin,unii-wv0i33nond,+-1r,2r-1,2-diphenylethane-1,2-diol,wv0i33nond,isohydrobenzoin,1,2-ethanediol, 1,2-diphenyl-, 1r,2r-rel,+-dihydrobenzoin PubChem CID: 853019 ChEBI: CHEBI:50014 IUPAC Name: (1R,2R)-1,2-diphenylethane-1,2-diol SMILES: C1=CC=C(C=C1)C(C(C2=CC=CC=C2)O)O
PubChem CID | 853019 |
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CAS | 52340-78-0 |
Molecular Weight (g/mol) | 214.264 |
ChEBI | CHEBI:50014 |
MDL Number | MFCD00064254 |
SMILES | C1=CC=C(C=C1)C(C(C2=CC=CC=C2)O)O |
Synonym | r,r-+-hydrobenzoin,1r,2r-1,2-diphenylethane-1,2-diol,r,r-hydrobenzoin,+-hydrobenzoin,unii-wv0i33nond,+-1r,2r-1,2-diphenylethane-1,2-diol,wv0i33nond,isohydrobenzoin,1,2-ethanediol, 1,2-diphenyl-, 1r,2r-rel,+-dihydrobenzoin |
IUPAC Name | (1R,2R)-1,2-diphenylethane-1,2-diol |
InChI Key | IHPDTPWNFBQHEB-ZIAGYGMSSA-N |
Molecular Formula | C14H14O2 |
Hexaethylene Glycol Monomethyl Ether 97.0+%, TCI America™
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CAS: 23601-40-3 Molecular Formula: C13H28O7 Molecular Weight (g/mol): 296.36 MDL Number: MFCD00045996 InChI Key: FHHGCKHKTAJLOM-UHFFFAOYSA-N Synonym: mPEG6-Alcohol PubChem CID: 90207 ChEBI: CHEBI:44752 IUPAC Name: 2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanol SMILES: COCCOCCOCCOCCOCCOCCO
PubChem CID | 90207 |
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CAS | 23601-40-3 |
Molecular Weight (g/mol) | 296.36 |
ChEBI | CHEBI:44752 |
MDL Number | MFCD00045996 |
SMILES | COCCOCCOCCOCCOCCOCCO |
Synonym | mPEG6-Alcohol |
IUPAC Name | 2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanol |
InChI Key | FHHGCKHKTAJLOM-UHFFFAOYSA-N |
Molecular Formula | C13H28O7 |
3-Hepten-2-one 95.0+%, TCI America™
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CAS: 1119-44-4 Molecular Formula: C7H12O Molecular Weight (g/mol): 112.17 MDL Number: MFCD00015564 InChI Key: JHHZQADGLDKIPM-AATRIKPKSA-N Synonym: 3-hepten-2-one,butylideneacetone,e-hept-3-en-2-one,3e-3-hepten-2-one,methyl pentenyl ketone,e-3-hepten-2-one,3-hepten-2-one, e,unii-tk02t5fjdo,tk02t5fjdo,3e-hept-3-en-2-one PubChem CID: 5364578 IUPAC Name: (3E)-hept-3-en-2-one SMILES: CCC\C=C\C(C)=O
PubChem CID | 5364578 |
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CAS | 1119-44-4 |
Molecular Weight (g/mol) | 112.17 |
MDL Number | MFCD00015564 |
SMILES | CCC\C=C\C(C)=O |
Synonym | 3-hepten-2-one,butylideneacetone,e-hept-3-en-2-one,3e-3-hepten-2-one,methyl pentenyl ketone,e-3-hepten-2-one,3-hepten-2-one, e,unii-tk02t5fjdo,tk02t5fjdo,3e-hept-3-en-2-one |
IUPAC Name | (3E)-hept-3-en-2-one |
InChI Key | JHHZQADGLDKIPM-AATRIKPKSA-N |
Molecular Formula | C7H12O |
2'-Hydroxy-5'-methoxyacetophenone 98.0+%, TCI America™
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CAS: 705-15-7 Molecular Formula: C9H10O3 Molecular Weight (g/mol): 166.176 MDL Number: MFCD00008731 InChI Key: MLIBGOFSXXWRIY-UHFFFAOYSA-N Synonym: 2'-hydroxy-5'-methoxyacetophenone,1-2-hydroxy-5-methoxyphenyl ethanone,2-hydroxy-5-methoxyacetophenone,1-2-hydroxy-5-methoxyphenyl ethan-1-one,ethanone, 1-2-hydroxy-5-methoxyphenyl,5-methoxy-2-hydroxyacetophenone,acetophenone, 2'-hydroxy-5'-methoxy,2'-hydroxy-5'-methoxyacetylphenone,1-2-hydroxy-5-methoxy-phenyl-ethanone,1-acetyl-2-hydroxy-5-methoxybenzene PubChem CID: 69714 IUPAC Name: 1-(2-hydroxy-5-methoxyphenyl)ethanone SMILES: CC(=O)C1=C(C=CC(=C1)OC)O
PubChem CID | 69714 |
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CAS | 705-15-7 |
Molecular Weight (g/mol) | 166.176 |
MDL Number | MFCD00008731 |
SMILES | CC(=O)C1=C(C=CC(=C1)OC)O |
Synonym | 2'-hydroxy-5'-methoxyacetophenone,1-2-hydroxy-5-methoxyphenyl ethanone,2-hydroxy-5-methoxyacetophenone,1-2-hydroxy-5-methoxyphenyl ethan-1-one,ethanone, 1-2-hydroxy-5-methoxyphenyl,5-methoxy-2-hydroxyacetophenone,acetophenone, 2'-hydroxy-5'-methoxy,2'-hydroxy-5'-methoxyacetylphenone,1-2-hydroxy-5-methoxy-phenyl-ethanone,1-acetyl-2-hydroxy-5-methoxybenzene |
IUPAC Name | 1-(2-hydroxy-5-methoxyphenyl)ethanone |
InChI Key | MLIBGOFSXXWRIY-UHFFFAOYSA-N |
Molecular Formula | C9H10O3 |
Haloperidol 98.0+%, TCI America™
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CAS: 52-86-8 Molecular Formula: C21H23ClFNO2 Molecular Weight (g/mol): 375.87 MDL Number: MFCD00051423 InChI Key: LNEPOXFFQSENCJ-UHFFFAOYSA-N Synonym: haloperidol,haldol,aloperidin,serenace,aloperidol,brotopon,eukystol,einalon s,aloperidolo,galoperidol PubChem CID: 3559 ChEBI: CHEBI:5613 IUPAC Name: 4-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-1-(4-fluorophenyl)butan-1-one SMILES: OC1(CCN(CCCC(=O)C2=CC=C(F)C=C2)CC1)C1=CC=C(Cl)C=C1
PubChem CID | 3559 |
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CAS | 52-86-8 |
Molecular Weight (g/mol) | 375.87 |
ChEBI | CHEBI:5613 |
MDL Number | MFCD00051423 |
SMILES | OC1(CCN(CCCC(=O)C2=CC=C(F)C=C2)CC1)C1=CC=C(Cl)C=C1 |
Synonym | haloperidol,haldol,aloperidin,serenace,aloperidol,brotopon,eukystol,einalon s,aloperidolo,galoperidol |
IUPAC Name | 4-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-1-(4-fluorophenyl)butan-1-one |
InChI Key | LNEPOXFFQSENCJ-UHFFFAOYSA-N |
Molecular Formula | C21H23ClFNO2 |