Benzenoids
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(R)-5,5-Diphenyl-2-methyl-3,4-propano-1,3,2-oxazaborolidine 97.0+%, TCI America™
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CAS: 112022-83-0 Molecular Formula: C18H20BNO Molecular Weight (g/mol): 277.17 MDL Number: MFCD00078440 InChI Key: VMKAFJQFKBASMU-QGZVFWFLSA-N Synonym: r-2-methyl-cbs-oxazaborolidine,r-methyl oxazaborolidine,r-+-2-methyl-cbs-oxazaborolidine,r-5,5-diphenyl-2-methyl-3,4-propano-1,3,2-oxazaborolidine,r-1-methyl-3,3-diphenylhexahydropyrrolo 1,2-c 1,3,2 oxazaborole,r-me-cbs catalyst,r-3,3-diphenyl-1-methylpyrrolidino 1,2-c-1,3,2-oxazaborole,r-me cbs,r-tetrahydro-1-methyl-3,3-diphenyl-1h,3h-pyrrolo 1,2-c 1,3,2 oxazaborole,corey's catalyst PubChem CID: 9838490 IUPAC Name: (3aR)-1-methyl-3,3-diphenyl-hexahydropyrrolo[1,2-c][1,3,2]oxazaborole SMILES: [H][C@]12CCCN1B(C)OC2(C1=CC=CC=C1)C1=CC=CC=C1
| PubChem CID | 9838490 |
|---|---|
| CAS | 112022-83-0 |
| Molecular Weight (g/mol) | 277.17 |
| MDL Number | MFCD00078440 |
| SMILES | [H][C@]12CCCN1B(C)OC2(C1=CC=CC=C1)C1=CC=CC=C1 |
| Synonym | r-2-methyl-cbs-oxazaborolidine,r-methyl oxazaborolidine,r-+-2-methyl-cbs-oxazaborolidine,r-5,5-diphenyl-2-methyl-3,4-propano-1,3,2-oxazaborolidine,r-1-methyl-3,3-diphenylhexahydropyrrolo 1,2-c 1,3,2 oxazaborole,r-me-cbs catalyst,r-3,3-diphenyl-1-methylpyrrolidino 1,2-c-1,3,2-oxazaborole,r-me cbs,r-tetrahydro-1-methyl-3,3-diphenyl-1h,3h-pyrrolo 1,2-c 1,3,2 oxazaborole,corey's catalyst |
| IUPAC Name | (3aR)-1-methyl-3,3-diphenyl-hexahydropyrrolo[1,2-c][1,3,2]oxazaborole |
| InChI Key | VMKAFJQFKBASMU-QGZVFWFLSA-N |
| Molecular Formula | C18H20BNO |
2-Chloro-4-nitrophenol 98.0+%, TCI America™
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CAS: 619-08-9 Molecular Formula: C6H4ClNO3 Molecular Weight (g/mol): 173.552 MDL Number: MFCD00043910 InChI Key: BOFRXDMCQRTGII-UHFFFAOYSA-N Synonym: 2-chloro-4-nitrophenol,nitrofungin,phenol, 2-chloro-4-nitro,2-chloro-4-nitro phenol,nitrofurgin,phenol, chloro-4-nitro,unii-y2v03m9ul8,2-chloro-4-nitro-phenol,2-chloro-4nitrophenol,pubchem18908 PubChem CID: 12074 SMILES: C1=CC(=C(C=C1[N+](=O)[O-])Cl)O
| PubChem CID | 12074 |
|---|---|
| CAS | 619-08-9 |
| Molecular Weight (g/mol) | 173.552 |
| MDL Number | MFCD00043910 |
| SMILES | C1=CC(=C(C=C1[N+](=O)[O-])Cl)O |
| Synonym | 2-chloro-4-nitrophenol,nitrofungin,phenol, 2-chloro-4-nitro,2-chloro-4-nitro phenol,nitrofurgin,phenol, chloro-4-nitro,unii-y2v03m9ul8,2-chloro-4-nitro-phenol,2-chloro-4nitrophenol,pubchem18908 |
| InChI Key | BOFRXDMCQRTGII-UHFFFAOYSA-N |
| Molecular Formula | C6H4ClNO3 |
4-Iodophenylsulfur Pentafluoride 94.0+%, TCI America™
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CAS: 286947-68-0 Molecular Formula: C6H4F5IS Molecular Weight (g/mol): 330.05 MDL Number: MFCD03788514 InChI Key: FRYANWYSCROOCU-UHFFFAOYSA-N PubChem CID: 2779199 IUPAC Name: 1-iodo-4-(pentafluoro-λ⁶-sulfanyl)benzene SMILES: FS(F)(F)(F)(F)C1=CC=C(I)C=C1
| PubChem CID | 2779199 |
|---|---|
| CAS | 286947-68-0 |
| Molecular Weight (g/mol) | 330.05 |
| MDL Number | MFCD03788514 |
| SMILES | FS(F)(F)(F)(F)C1=CC=C(I)C=C1 |
| IUPAC Name | 1-iodo-4-(pentafluoro-λ⁶-sulfanyl)benzene |
| InChI Key | FRYANWYSCROOCU-UHFFFAOYSA-N |
| Molecular Formula | C6H4F5IS |
9,9-Dimethylfluorene 98.0+%, TCI America™
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CAS: 4569-45-3 Molecular Formula: C15H14 Molecular Weight (g/mol): 194.28 MDL Number: MFCD00114670,MFCD31699973 InChI Key: ZHQNDEHZACHHTA-UHFFFAOYSA-N PubChem CID: 78325 IUPAC Name: 9,9-dimethyl-9H-fluorene SMILES: CC1(C)C2=CC=CC=C2C2=CC=CC=C12
| PubChem CID | 78325 |
|---|---|
| CAS | 4569-45-3 |
| Molecular Weight (g/mol) | 194.28 |
| MDL Number | MFCD00114670,MFCD31699973 |
| SMILES | CC1(C)C2=CC=CC=C2C2=CC=CC=C12 |
| IUPAC Name | 9,9-dimethyl-9H-fluorene |
| InChI Key | ZHQNDEHZACHHTA-UHFFFAOYSA-N |
| Molecular Formula | C15H14 |
Sodium 1-Naphthalenesulfonate 98.0+%, TCI America™
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CAS: 130-14-3 Molecular Formula: C10H7NaO3S Molecular Weight (g/mol): 230.213 MDL Number: MFCD00064964 InChI Key: HIEHAIZHJZLEPQ-UHFFFAOYSA-M Synonym: sodium 1-naphthalenesulfonate,sodium naphthalene-1-sulfonate,1-naphthalenesulfonic acid sodium salt,unii-mai7v3c3pn,sodium naphthalenesulphonate,sodium naphthalene sulfonate,1-naphthalenesulfonic acid, sodium salt,alpha salt,sodium alpha-naphthalenesulfonate,mai7v3c3pn PubChem CID: 23661867 IUPAC Name: sodium;naphthalene-1-sulfonate SMILES: C1=CC=C2C(=C1)C=CC=C2S(=O)(=O)[O-].[Na+]
| PubChem CID | 23661867 |
|---|---|
| CAS | 130-14-3 |
| Molecular Weight (g/mol) | 230.213 |
| MDL Number | MFCD00064964 |
| SMILES | C1=CC=C2C(=C1)C=CC=C2S(=O)(=O)[O-].[Na+] |
| Synonym | sodium 1-naphthalenesulfonate,sodium naphthalene-1-sulfonate,1-naphthalenesulfonic acid sodium salt,unii-mai7v3c3pn,sodium naphthalenesulphonate,sodium naphthalene sulfonate,1-naphthalenesulfonic acid, sodium salt,alpha salt,sodium alpha-naphthalenesulfonate,mai7v3c3pn |
| IUPAC Name | sodium;naphthalene-1-sulfonate |
| InChI Key | HIEHAIZHJZLEPQ-UHFFFAOYSA-M |
| Molecular Formula | C10H7NaO3S |
2,3,4-Trimethoxybenzoic Acid 98.0+%, TCI America™
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CAS: 573-11-5 Molecular Formula: C10H12O5 Molecular Weight (g/mol): 212.201 MDL Number: MFCD00002433 InChI Key: HZNQSWJZTWOTKM-UHFFFAOYSA-N Synonym: benzoic acid, 2,3,4-trimethoxy,2,3,4-trimethoxybenzoicacid,2,3,4-trimethoxy-benzoic acid,trimethoxybenzoic acid,benzoic acid, trimethoxy,acmc-209lx4,ksc265s3r,2,3,4-trimethoxy benzoic acid,2,3,4-trimethoxybenzoic acid PubChem CID: 11308 IUPAC Name: 2,3,4-trimethoxybenzoic acid SMILES: COC1=C(C(=C(C=C1)C(=O)O)OC)OC
| PubChem CID | 11308 |
|---|---|
| CAS | 573-11-5 |
| Molecular Weight (g/mol) | 212.201 |
| MDL Number | MFCD00002433 |
| SMILES | COC1=C(C(=C(C=C1)C(=O)O)OC)OC |
| Synonym | benzoic acid, 2,3,4-trimethoxy,2,3,4-trimethoxybenzoicacid,2,3,4-trimethoxy-benzoic acid,trimethoxybenzoic acid,benzoic acid, trimethoxy,acmc-209lx4,ksc265s3r,2,3,4-trimethoxy benzoic acid,2,3,4-trimethoxybenzoic acid |
| IUPAC Name | 2,3,4-trimethoxybenzoic acid |
| InChI Key | HZNQSWJZTWOTKM-UHFFFAOYSA-N |
| Molecular Formula | C10H12O5 |
2-Methoxy-4-nitrobenzaldehyde 98.0+%, TCI America™
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CAS: 136507-15-8 Molecular Formula: C8H7NO4 Molecular Weight (g/mol): 181.147 MDL Number: MFCD02683052 InChI Key: LEBUUZXTHMCZQZ-UHFFFAOYSA-N PubChem CID: 2759599 IUPAC Name: 2-methoxy-4-nitrobenzaldehyde SMILES: COC1=C(C=CC(=C1)[N+](=O)[O-])C=O
| PubChem CID | 2759599 |
|---|---|
| CAS | 136507-15-8 |
| Molecular Weight (g/mol) | 181.147 |
| MDL Number | MFCD02683052 |
| SMILES | COC1=C(C=CC(=C1)[N+](=O)[O-])C=O |
| IUPAC Name | 2-methoxy-4-nitrobenzaldehyde |
| InChI Key | LEBUUZXTHMCZQZ-UHFFFAOYSA-N |
| Molecular Formula | C8H7NO4 |
1,3-Benzenedisulfonamide 98.0+%, TCI America™
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CAS: 3701-01-7 Molecular Formula: C6H8N2O4S2 Molecular Weight (g/mol): 236.26 MDL Number: MFCD00025383 InChI Key: HUYYFHGIHVULSU-UHFFFAOYSA-N PubChem CID: 3090044 ChEBI: CHEBI:35085 IUPAC Name: benzene-1,3-disulfonamide SMILES: C1=CC(=CC(=C1)S(=O)(=O)N)S(=O)(=O)N
| PubChem CID | 3090044 |
|---|---|
| CAS | 3701-01-7 |
| Molecular Weight (g/mol) | 236.26 |
| ChEBI | CHEBI:35085 |
| MDL Number | MFCD00025383 |
| SMILES | C1=CC(=CC(=C1)S(=O)(=O)N)S(=O)(=O)N |
| IUPAC Name | benzene-1,3-disulfonamide |
| InChI Key | HUYYFHGIHVULSU-UHFFFAOYSA-N |
| Molecular Formula | C6H8N2O4S2 |
4-Fluoro-2-nitrotoluene 96.0+%, TCI America™
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CAS: 446-10-6 Molecular Formula: C7H6FNO2 Molecular Weight (g/mol): 155.128 MDL Number: MFCD00007200 InChI Key: SKWTUNAAJNDEIK-UHFFFAOYSA-N Synonym: 4-fluoro-2-nitrotoluene,2-nitro-4-fluorotoluene,benzene, 4-fluoro-1-methyl-2-nitro,toluene, 4-fluoro-2-nitro,4-fluoro-2-nitrobenzene,5-fluoro-2-methylnitrobenzene,4-fluoro-2-nitro toluene,4-fluoro-1-methyl-2-nitro-benzene,4-fluoronitrotoluene,zlchem 482 PubChem CID: 67965 IUPAC Name: 4-fluoro-1-methyl-2-nitrobenzene SMILES: CC1=C(C=C(C=C1)F)[N+](=O)[O-]
| PubChem CID | 67965 |
|---|---|
| CAS | 446-10-6 |
| Molecular Weight (g/mol) | 155.128 |
| MDL Number | MFCD00007200 |
| SMILES | CC1=C(C=C(C=C1)F)[N+](=O)[O-] |
| Synonym | 4-fluoro-2-nitrotoluene,2-nitro-4-fluorotoluene,benzene, 4-fluoro-1-methyl-2-nitro,toluene, 4-fluoro-2-nitro,4-fluoro-2-nitrobenzene,5-fluoro-2-methylnitrobenzene,4-fluoro-2-nitro toluene,4-fluoro-1-methyl-2-nitro-benzene,4-fluoronitrotoluene,zlchem 482 |
| IUPAC Name | 4-fluoro-1-methyl-2-nitrobenzene |
| InChI Key | SKWTUNAAJNDEIK-UHFFFAOYSA-N |
| Molecular Formula | C7H6FNO2 |
Triphenylpropargylphosphonium Bromide 98.0+%, TCI America™
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CAS: 2091-46-5 Molecular Formula: C21H18BrP Molecular Weight (g/mol): 381.25 MDL Number: MFCD00011811 InChI Key: AFZDAWIXETXKRE-UHFFFAOYSA-M Synonym: triphenylpropargylphosphonium bromide,propargyltriphenylphosphonium bromide,prop-2-ynyltriphenylphosphonium bromide,triphenyl prop-2-yn-1-yl phosphonium bromide,propargyl triphenylphosphonium bromide,acmc-1cbag,propargyltriphenylphosphoniumbromide,triphenylpropargylphosphoniumbromide,triphenylprop-2-ynylphosphine, bromide,triphenyl-2-propynylphosphonium bromide PubChem CID: 2724214 IUPAC Name: triphenyl(prop-2-yn-1-yl)phosphanium bromide SMILES: [Br-].C#CC[P+](C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1
| PubChem CID | 2724214 |
|---|---|
| CAS | 2091-46-5 |
| Molecular Weight (g/mol) | 381.25 |
| MDL Number | MFCD00011811 |
| SMILES | [Br-].C#CC[P+](C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1 |
| Synonym | triphenylpropargylphosphonium bromide,propargyltriphenylphosphonium bromide,prop-2-ynyltriphenylphosphonium bromide,triphenyl prop-2-yn-1-yl phosphonium bromide,propargyl triphenylphosphonium bromide,acmc-1cbag,propargyltriphenylphosphoniumbromide,triphenylpropargylphosphoniumbromide,triphenylprop-2-ynylphosphine, bromide,triphenyl-2-propynylphosphonium bromide |
| IUPAC Name | triphenyl(prop-2-yn-1-yl)phosphanium bromide |
| InChI Key | AFZDAWIXETXKRE-UHFFFAOYSA-M |
| Molecular Formula | C21H18BrP |
6-Amino-1-tetralone 98.0+%, TCI America™
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CAS: 3470-53-9 Molecular Formula: C10H11NO Molecular Weight (g/mol): 161.204 MDL Number: MFCD00099462 InChI Key: BEVVUJBVEXJGKM-UHFFFAOYSA-N Synonym: 6-amino-1,2,3,4-tetrahydronaphthalen-1-one,6-amino-1-tetralone,6-amino-3,4-dihydronaphthalen-1 2h-one,6-amino-3,4-dihydro-1 2h-naphthalenone,1 2h-naphthalenone, 6-amino-3,4-dihydro,6-amino-1,2,3,4-tetrahydro napthalene-1-one,6-amino-2,3,4-trihydronaphthalen-1-one,6-azanyl-3,4-dihydro-2∼ h-naphthalen-1-one,6-aminotetralone,pubchem12409 PubChem CID: 339537 IUPAC Name: 6-amino-3,4-dihydro-2H-naphthalen-1-one SMILES: C1CC2=C(C=CC(=C2)N)C(=O)C1
| PubChem CID | 339537 |
|---|---|
| CAS | 3470-53-9 |
| Molecular Weight (g/mol) | 161.204 |
| MDL Number | MFCD00099462 |
| SMILES | C1CC2=C(C=CC(=C2)N)C(=O)C1 |
| Synonym | 6-amino-1,2,3,4-tetrahydronaphthalen-1-one,6-amino-1-tetralone,6-amino-3,4-dihydronaphthalen-1 2h-one,6-amino-3,4-dihydro-1 2h-naphthalenone,1 2h-naphthalenone, 6-amino-3,4-dihydro,6-amino-1,2,3,4-tetrahydro napthalene-1-one,6-amino-2,3,4-trihydronaphthalen-1-one,6-azanyl-3,4-dihydro-2∼ h-naphthalen-1-one,6-aminotetralone,pubchem12409 |
| IUPAC Name | 6-amino-3,4-dihydro-2H-naphthalen-1-one |
| InChI Key | BEVVUJBVEXJGKM-UHFFFAOYSA-N |
| Molecular Formula | C10H11NO |
3-Hydroxy-4-iodobenzoic Acid 98.0+%, TCI America™
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CAS: 58123-77-6 Molecular Formula: C7H5IO3 Molecular Weight (g/mol): 264.02 MDL Number: MFCD02068386 InChI Key: UABBBWVTEWIIMN-UHFFFAOYSA-N Synonym: 3-hydroxy-4-iodo-benzoic acid,benzoic acid, 3-hydroxy-4-iodo,acmc-1ay71,ksc497o7h,4-iodo-3-hydroxybenzoic acid,4-iodo-3-hydroxy-benzoic acid,3-hydroxy-4-iodobenzoic acid,4-iodo-3-hydroxy benzoic acid PubChem CID: 736854 IUPAC Name: 3-hydroxy-4-iodobenzoic acid SMILES: OC(=O)C1=CC(O)=C(I)C=C1
| PubChem CID | 736854 |
|---|---|
| CAS | 58123-77-6 |
| Molecular Weight (g/mol) | 264.02 |
| MDL Number | MFCD02068386 |
| SMILES | OC(=O)C1=CC(O)=C(I)C=C1 |
| Synonym | 3-hydroxy-4-iodo-benzoic acid,benzoic acid, 3-hydroxy-4-iodo,acmc-1ay71,ksc497o7h,4-iodo-3-hydroxybenzoic acid,4-iodo-3-hydroxy-benzoic acid,3-hydroxy-4-iodobenzoic acid,4-iodo-3-hydroxy benzoic acid |
| IUPAC Name | 3-hydroxy-4-iodobenzoic acid |
| InChI Key | UABBBWVTEWIIMN-UHFFFAOYSA-N |
| Molecular Formula | C7H5IO3 |
2-Chloro-5-methylaniline 98.0+%, TCI America™
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CAS: 95-81-8 Molecular Formula: C7H8ClN Molecular Weight (g/mol): 141.60 MDL Number: MFCD00007674 InChI Key: HPSCXFOQUFPEPE-UHFFFAOYSA-N Synonym: benzenamine, 2-chloro-5-methyl,6-chloro-m-toluidine,3-amino-4-chlorotoluene,2-chlor-5-methyl-aniline,2-chloro-5-methylbenzenamine,2-chloro-5-methylphenylamine,ccris 2888,2-chloro-5-methyl aniline,6-chlor-meta-toluidin,pubchem18921 PubChem CID: 66770 IUPAC Name: 2-chloro-5-methylaniline SMILES: CC1=CC=C(Cl)C(N)=C1
| PubChem CID | 66770 |
|---|---|
| CAS | 95-81-8 |
| Molecular Weight (g/mol) | 141.60 |
| MDL Number | MFCD00007674 |
| SMILES | CC1=CC=C(Cl)C(N)=C1 |
| Synonym | benzenamine, 2-chloro-5-methyl,6-chloro-m-toluidine,3-amino-4-chlorotoluene,2-chlor-5-methyl-aniline,2-chloro-5-methylbenzenamine,2-chloro-5-methylphenylamine,ccris 2888,2-chloro-5-methyl aniline,6-chlor-meta-toluidin,pubchem18921 |
| IUPAC Name | 2-chloro-5-methylaniline |
| InChI Key | HPSCXFOQUFPEPE-UHFFFAOYSA-N |
| Molecular Formula | C7H8ClN |
1-Bromo-2,5-bis(trifluoromethyl)benzene 87.0+%, TCI America™
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CAS: 7617-93-8 Molecular Formula: C8H3BrF6 Molecular Weight (g/mol): 293.006 MDL Number: MFCD03094336 InChI Key: GFQNSGHVOFVTLC-UHFFFAOYSA-N Synonym: 2,5-bis trifluoromethyl bromobenzene,2-bromo-1,4-bis trifluoromethyl benzene,1-bromo-2,5-bis trifluoromethyl benzene,1,4-bis trifluoromethyl-2-bromobenzene,benzene, 2-bromo-1,4-bis trifluoromethyl,pubchem4264,acmc-1bisb,ksc495k7j,2,5-bis-trifluoromethylbromobenzene PubChem CID: 2734763 IUPAC Name: 2-bromo-1,4-bis(trifluoromethyl)benzene SMILES: C1=CC(=C(C=C1C(F)(F)F)Br)C(F)(F)F
| PubChem CID | 2734763 |
|---|---|
| CAS | 7617-93-8 |
| Molecular Weight (g/mol) | 293.006 |
| MDL Number | MFCD03094336 |
| SMILES | C1=CC(=C(C=C1C(F)(F)F)Br)C(F)(F)F |
| Synonym | 2,5-bis trifluoromethyl bromobenzene,2-bromo-1,4-bis trifluoromethyl benzene,1-bromo-2,5-bis trifluoromethyl benzene,1,4-bis trifluoromethyl-2-bromobenzene,benzene, 2-bromo-1,4-bis trifluoromethyl,pubchem4264,acmc-1bisb,ksc495k7j,2,5-bis-trifluoromethylbromobenzene |
| IUPAC Name | 2-bromo-1,4-bis(trifluoromethyl)benzene |
| InChI Key | GFQNSGHVOFVTLC-UHFFFAOYSA-N |
| Molecular Formula | C8H3BrF6 |
Mubritinib 98.0+%, TCI America™
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CAS: 366017-09-6 Molecular Formula: C25H23F3N4O2 Molecular Weight (g/mol): 468.48 MDL Number: MFCD09954135 InChI Key: ZTFBIUXIQYRUNT-MDWZMJQESA-N Synonym: (E)-4-[[4-[4-(1H-1,2,3-Triazol-1-yl)butyl]phenoxy]methyl]-2-[4-(trifluoromethyl)styryl]oxazole, TAK 165 PubChem CID: 6444692 IUPAC Name: 4-[[4-[4-(triazol-1-yl)butyl]phenoxy]methyl]-2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1,3-oxazole SMILES: C1=CC(=CC=C1CCCCN2C=CN=N2)OCC3=COC(=N3)C=CC4=CC=C(C=C4)C(F)(F)F
| PubChem CID | 6444692 |
|---|---|
| CAS | 366017-09-6 |
| Molecular Weight (g/mol) | 468.48 |
| MDL Number | MFCD09954135 |
| SMILES | C1=CC(=CC=C1CCCCN2C=CN=N2)OCC3=COC(=N3)C=CC4=CC=C(C=C4)C(F)(F)F |
| Synonym | (E)-4-[[4-[4-(1H-1,2,3-Triazol-1-yl)butyl]phenoxy]methyl]-2-[4-(trifluoromethyl)styryl]oxazole, TAK 165 |
| IUPAC Name | 4-[[4-[4-(triazol-1-yl)butyl]phenoxy]methyl]-2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1,3-oxazole |
| InChI Key | ZTFBIUXIQYRUNT-MDWZMJQESA-N |
| Molecular Formula | C25H23F3N4O2 |