Benzenoids
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alpha,alpha'-Dichloro-p-xylene 98.0+%, TCI America™
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CAS: 623-25-6 Molecular Formula: C8H8Cl2 Molecular Weight (g/mol): 175.052 MDL Number: MFCD00000920 InChI Key: ZZHIDJWUJRKHGX-UHFFFAOYSA-N Synonym: 1,4-bis chloromethyl benzene,alpha,alpha'-dichloro-p-xylene,p-xylylene dichloride,p-xylylene chloride,benzene, 1,4-bis chloromethyl,p-bis chloromethyl benzene,benzene, p-bis chloromethyl,a,a'-dichloro-p-xylene,xylylene dichloride,ccris 1772 PubChem CID: 12171 IUPAC Name: 1,4-bis(chloromethyl)benzene SMILES: C1=CC(=CC=C1CCl)CCl
| PubChem CID | 12171 |
|---|---|
| CAS | 623-25-6 |
| Molecular Weight (g/mol) | 175.052 |
| MDL Number | MFCD00000920 |
| SMILES | C1=CC(=CC=C1CCl)CCl |
| Synonym | 1,4-bis chloromethyl benzene,alpha,alpha'-dichloro-p-xylene,p-xylylene dichloride,p-xylylene chloride,benzene, 1,4-bis chloromethyl,p-bis chloromethyl benzene,benzene, p-bis chloromethyl,a,a'-dichloro-p-xylene,xylylene dichloride,ccris 1772 |
| IUPAC Name | 1,4-bis(chloromethyl)benzene |
| InChI Key | ZZHIDJWUJRKHGX-UHFFFAOYSA-N |
| Molecular Formula | C8H8Cl2 |
Decafluorobenzophenone 98.0+%, TCI America™
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CAS: 853-39-4 Molecular Formula: C13F10O Molecular Weight (g/mol): 362.126 MDL Number: MFCD00000295 InChI Key: WWQLXRAKBJVNCC-UHFFFAOYSA-N Synonym: decafluorobenzophenone,benzophenone, decafluoro,perfluorobenzophenone,methanone, bis pentafluorophenyl,bis perfluorophenyl methanone,bis pentafluorophenyl methanone,bis 2,3,4,5,6-pentafluorophenyl methanone,di2,3,4,5,6-pentafluorophenyl ketone,acmc-209q5n PubChem CID: 70068 IUPAC Name: bis(2,3,4,5,6-pentafluorophenyl)methanone SMILES: C1(=C(C(=C(C(=C1F)F)F)F)F)C(=O)C2=C(C(=C(C(=C2F)F)F)F)F
| PubChem CID | 70068 |
|---|---|
| CAS | 853-39-4 |
| Molecular Weight (g/mol) | 362.126 |
| MDL Number | MFCD00000295 |
| SMILES | C1(=C(C(=C(C(=C1F)F)F)F)F)C(=O)C2=C(C(=C(C(=C2F)F)F)F)F |
| Synonym | decafluorobenzophenone,benzophenone, decafluoro,perfluorobenzophenone,methanone, bis pentafluorophenyl,bis perfluorophenyl methanone,bis pentafluorophenyl methanone,bis 2,3,4,5,6-pentafluorophenyl methanone,di2,3,4,5,6-pentafluorophenyl ketone,acmc-209q5n |
| IUPAC Name | bis(2,3,4,5,6-pentafluorophenyl)methanone |
| InChI Key | WWQLXRAKBJVNCC-UHFFFAOYSA-N |
| Molecular Formula | C13F10O |
Ethyl 4-Fluorobenzoate 98.0+%, TCI America™
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CAS: 451-46-7 Molecular Formula: C9H9FO2 Molecular Weight (g/mol): 168.167 MDL Number: MFCD00000351 InChI Key: UMPRJGKLMUDRHL-UHFFFAOYSA-N Synonym: 4-fluorobenzoic acid ethyl ester,ethyl p-fluorobenzoate,benzoic acid, 4-fluoro-, ethyl ester,p-fluorobenzoic acid, ethyl ester,ethyl4-fluorobenzoate,4-fluoro-benzoic acid ethyl ester,benzoic acid, p-fluoro-, ethyl ester,ethyep-fluorobenzoate,pubchem3471,ethyl-4-fluorobenzoate PubChem CID: 67976 IUPAC Name: ethyl 4-fluorobenzoate SMILES: CCOC(=O)C1=CC=C(C=C1)F
| PubChem CID | 67976 |
|---|---|
| CAS | 451-46-7 |
| Molecular Weight (g/mol) | 168.167 |
| MDL Number | MFCD00000351 |
| SMILES | CCOC(=O)C1=CC=C(C=C1)F |
| Synonym | 4-fluorobenzoic acid ethyl ester,ethyl p-fluorobenzoate,benzoic acid, 4-fluoro-, ethyl ester,p-fluorobenzoic acid, ethyl ester,ethyl4-fluorobenzoate,4-fluoro-benzoic acid ethyl ester,benzoic acid, p-fluoro-, ethyl ester,ethyep-fluorobenzoate,pubchem3471,ethyl-4-fluorobenzoate |
| IUPAC Name | ethyl 4-fluorobenzoate |
| InChI Key | UMPRJGKLMUDRHL-UHFFFAOYSA-N |
| Molecular Formula | C9H9FO2 |
RuCl2[(R)-dm-segphos(regR)][(R,R)-dpen], TCI America™
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CAS: 944450-45-7 Molecular Formula: C60H60Cl2N2O4P2Ru Molecular Weight (g/mol): 1107.068 MDL Number: MFCD09753031 InChI Key: FOEKPXQPRAIJRW-ODQAEMFESA-L PubChem CID: 71310561 IUPAC Name: [4-[5-bis(3,5-dimethylphenyl)phosphanyl-1,3-benzodioxol-4-yl]-1,3-benzodioxol-5-yl]-bis(3,5-dimethylphenyl)phosphane;dichlororuthenium;(1R,2R)-1,2-diphenylethane-1,2-diamine SMILES: CC1=CC(=CC(=C1)P(C2=C(C3=C(C=C2)OCO3)C4=C(C=CC5=C4OCO5)P(C6=CC(=CC(=C6)C)C)C7=CC(=CC(=C7)C)C)C8=CC(=CC(=C8)C)C)C.C1=CC=C(C=C1)C(C(C2=CC=CC=C2)N)N.Cl[Ru]Cl
| PubChem CID | 71310561 |
|---|---|
| CAS | 944450-45-7 |
| Molecular Weight (g/mol) | 1107.068 |
| MDL Number | MFCD09753031 |
| SMILES | CC1=CC(=CC(=C1)P(C2=C(C3=C(C=C2)OCO3)C4=C(C=CC5=C4OCO5)P(C6=CC(=CC(=C6)C)C)C7=CC(=CC(=C7)C)C)C8=CC(=CC(=C8)C)C)C.C1=CC=C(C=C1)C(C(C2=CC=CC=C2)N)N.Cl[Ru]Cl |
| IUPAC Name | [4-[5-bis(3,5-dimethylphenyl)phosphanyl-1,3-benzodioxol-4-yl]-1,3-benzodioxol-5-yl]-bis(3,5-dimethylphenyl)phosphane;dichlororuthenium;(1R,2R)-1,2-diphenylethane-1,2-diamine |
| InChI Key | FOEKPXQPRAIJRW-ODQAEMFESA-L |
| Molecular Formula | C60H60Cl2N2O4P2Ru |
Sodium 4-Acetamidobenzenesulfinate Dihydrate 98.0+%, TCI America™
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CAS: 15898-43-8 Molecular Formula: C8H12NNaO5S Molecular Weight (g/mol): 257.236 MDL Number: MFCD04113633 InChI Key: LKRSHPGOHITHSF-UHFFFAOYSA-M Synonym: 4-Acetamidobenzenesulfinic Acid Sodium Salt PubChem CID: 70699978 IUPAC Name: sodium;4-acetamidobenzenesulfinate;dihydrate SMILES: CC(=O)NC1=CC=C(C=C1)S(=O)[O-].O.O.[Na+]
| PubChem CID | 70699978 |
|---|---|
| CAS | 15898-43-8 |
| Molecular Weight (g/mol) | 257.236 |
| MDL Number | MFCD04113633 |
| SMILES | CC(=O)NC1=CC=C(C=C1)S(=O)[O-].O.O.[Na+] |
| Synonym | 4-Acetamidobenzenesulfinic Acid Sodium Salt |
| IUPAC Name | sodium;4-acetamidobenzenesulfinate;dihydrate |
| InChI Key | LKRSHPGOHITHSF-UHFFFAOYSA-M |
| Molecular Formula | C8H12NNaO5S |
4-Amino-2,5-xylenol 97.0+%, TCI America™
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CAS: 3096-71-7 Molecular Formula: C8H11NO Molecular Weight (g/mol): 137.182 InChI Key: JSWVCUXQICMATE-UHFFFAOYSA-N Synonym: 4-amino-2,5-xylenol,phenol, 4-amino-2,5-dimethyl,unii-rf4r93709t,2,5-dimethyl-4-aminophenol,4-amino-2,5-dimethyl-phenol,4-hydroxy-2,5-dimethylaniline,acmc-209hjo,2,5-dimethy-4-aminophenol,2,5-xylenol, 4-amino,ksc495q0r PubChem CID: 76544 IUPAC Name: 4-amino-2,5-dimethylphenol SMILES: CC1=CC(=C(C=C1O)C)N
| PubChem CID | 76544 |
|---|---|
| CAS | 3096-71-7 |
| Molecular Weight (g/mol) | 137.182 |
| SMILES | CC1=CC(=C(C=C1O)C)N |
| Synonym | 4-amino-2,5-xylenol,phenol, 4-amino-2,5-dimethyl,unii-rf4r93709t,2,5-dimethyl-4-aminophenol,4-amino-2,5-dimethyl-phenol,4-hydroxy-2,5-dimethylaniline,acmc-209hjo,2,5-dimethy-4-aminophenol,2,5-xylenol, 4-amino,ksc495q0r |
| IUPAC Name | 4-amino-2,5-dimethylphenol |
| InChI Key | JSWVCUXQICMATE-UHFFFAOYSA-N |
| Molecular Formula | C8H11NO |
Di-mu-chlorobis[5-chloro-2-[(4-chlorophenyl)(hydroxyimino)methyl]phenyl]palladium(II) Dimer 95.0+%, TCI America™
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CAS: 287410-78-0 Molecular Formula: C26H18Cl6N2O2Pd2 Molecular Weight (g/mol): 815.982 MDL Number: MFCD09038424 InChI Key: QPUPWYGEQHWYOF-INIQRQEMSA-N Synonym: Najera Catalyst I PubChem CID: 132774960 IUPAC Name: (NE)-N-[(4-chlorobenzene-6-id-1-yl)-(4-chlorophenyl)methylidene]hydroxylamine;dichloroniopalladium;palladium SMILES: C1=CC(=CC=C1C(=NO)C2=CC=C(C=[C-]2)Cl)Cl.C1=CC(=CC=C1C(=NO)C2=CC=C(C=[C-]2)Cl)Cl.[ClH+][Pd][ClH+].[Pd]
| PubChem CID | 132774960 |
|---|---|
| CAS | 287410-78-0 |
| Molecular Weight (g/mol) | 815.982 |
| MDL Number | MFCD09038424 |
| SMILES | C1=CC(=CC=C1C(=NO)C2=CC=C(C=[C-]2)Cl)Cl.C1=CC(=CC=C1C(=NO)C2=CC=C(C=[C-]2)Cl)Cl.[ClH+][Pd][ClH+].[Pd] |
| Synonym | Najera Catalyst I |
| IUPAC Name | (NE)-N-[(4-chlorobenzene-6-id-1-yl)-(4-chlorophenyl)methylidene]hydroxylamine;dichloroniopalladium;palladium |
| InChI Key | QPUPWYGEQHWYOF-INIQRQEMSA-N |
| Molecular Formula | C26H18Cl6N2O2Pd2 |
4-Methylbenzylamine 98.0+%, TCI America™
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CAS: 104-84-7 Molecular Formula: C8H11N Molecular Weight (g/mol): 121.183 MDL Number: MFCD00008123 InChI Key: HMTSWYPNXFHGEP-UHFFFAOYSA-N Synonym: 4-methylbenzylamine,benzenemethanamine, 4-methyl,p-methylbenzylamine,p-tolylmethanamine,4-methylphenyl methanamine,benzylamine, p-methyl,p-xylylamine,4-methybenzylamine,1-4-methylphenyl methanamine,4-methyl-benzylamine PubChem CID: 66035 IUPAC Name: (4-methylphenyl)methanamine SMILES: CC1=CC=C(C=C1)CN
| PubChem CID | 66035 |
|---|---|
| CAS | 104-84-7 |
| Molecular Weight (g/mol) | 121.183 |
| MDL Number | MFCD00008123 |
| SMILES | CC1=CC=C(C=C1)CN |
| Synonym | 4-methylbenzylamine,benzenemethanamine, 4-methyl,p-methylbenzylamine,p-tolylmethanamine,4-methylphenyl methanamine,benzylamine, p-methyl,p-xylylamine,4-methybenzylamine,1-4-methylphenyl methanamine,4-methyl-benzylamine |
| IUPAC Name | (4-methylphenyl)methanamine |
| InChI Key | HMTSWYPNXFHGEP-UHFFFAOYSA-N |
| Molecular Formula | C8H11N |
1,4-Diiodobenzene 98.0+%, TCI America™
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CAS: 624-38-4 Molecular Formula: C6H4I2 Molecular Weight (g/mol): 329.907 MDL Number: MFCD00001054 InChI Key: LFMWZTSOMGDDJU-UHFFFAOYSA-N Synonym: p-diiodobenzene,benzene, 1,4-diiodo,p-benzene diiodide,benzene, p-diiodo,unii-i9xcf83vav,i9xcf83vav,1,4-diiodbenzene,1,4-diidobenzene,1,4 diiodobenzene,1,4-diiodiobenzene PubChem CID: 12208 IUPAC Name: 1,4-diiodobenzene SMILES: C1=CC(=CC=C1I)I
| PubChem CID | 12208 |
|---|---|
| CAS | 624-38-4 |
| Molecular Weight (g/mol) | 329.907 |
| MDL Number | MFCD00001054 |
| SMILES | C1=CC(=CC=C1I)I |
| Synonym | p-diiodobenzene,benzene, 1,4-diiodo,p-benzene diiodide,benzene, p-diiodo,unii-i9xcf83vav,i9xcf83vav,1,4-diiodbenzene,1,4-diidobenzene,1,4 diiodobenzene,1,4-diiodiobenzene |
| IUPAC Name | 1,4-diiodobenzene |
| InChI Key | LFMWZTSOMGDDJU-UHFFFAOYSA-N |
| Molecular Formula | C6H4I2 |
3-Amino-4-chlorobenzoic Acid 98.0+%, TCI America™
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CAS: 2840-28-0 Molecular Formula: C7H6ClNO2 Molecular Weight (g/mol): 171.58 MDL Number: MFCD00007671 InChI Key: DMGFVJVLVZOSOE-UHFFFAOYSA-N Synonym: benzoic acid, 3-amino-4-chloro,unii-3q8r4430cf,3-amino-4-chloro benzoic acid,3-amino-4-chloro-benzoic acid,4-chloro-3-amino benzoic acid,pubchem8988,acmc-1cmgg,5-carboxy-2-chloroaniline,dsstox_cid_24414,dsstox_rid_80213 PubChem CID: 76092 IUPAC Name: 3-amino-4-chlorobenzoic acid SMILES: C1=CC(=C(C=C1C(=O)O)N)Cl
| PubChem CID | 76092 |
|---|---|
| CAS | 2840-28-0 |
| Molecular Weight (g/mol) | 171.58 |
| MDL Number | MFCD00007671 |
| SMILES | C1=CC(=C(C=C1C(=O)O)N)Cl |
| Synonym | benzoic acid, 3-amino-4-chloro,unii-3q8r4430cf,3-amino-4-chloro benzoic acid,3-amino-4-chloro-benzoic acid,4-chloro-3-amino benzoic acid,pubchem8988,acmc-1cmgg,5-carboxy-2-chloroaniline,dsstox_cid_24414,dsstox_rid_80213 |
| IUPAC Name | 3-amino-4-chlorobenzoic acid |
| InChI Key | DMGFVJVLVZOSOE-UHFFFAOYSA-N |
| Molecular Formula | C7H6ClNO2 |
9,10-Bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)anthracene 98.0+%, TCI America™
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CAS: 863992-56-7 Molecular Formula: C26H32B2O4 Molecular Weight (g/mol): 430.16 MDL Number: MFCD16294538 InChI Key: ZLXSWNVYGSZXOP-UHFFFAOYSA-N Synonym: 9,10-anthracenediboronic acid bis pinacol ester,9,10-bis 4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl anthracene,4,4,5,5-tetramethyl-2-10-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl anthracen-9-yl-1,3,2-dioxaborolane,amtb237,anthracene-9,10-diboronic acid bis pinacol ester,9,10-bis 4,4,5,5-tetramethyl-1,3,2-dioxaborolanyl anthracene,9,10-bis 4,4,5,5-tetramethyl 1.3.2 dioxaborolan-2-yl anthracene,9,10-bis 4,4,5,5-tetramethyl-1,3,2-dioxaborolane-2-yl anthracene,1,3,2-dioxaborolane, 2,2'-9,10-anthracenediyl bis 4,4,5,5-tetramethyl PubChem CID: 57415691 IUPAC Name: 4,4,5,5-tetramethyl-2-[10-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)anthracen-9-yl]-1,3,2-dioxaborolane SMILES: CC1(C)OB(OC1(C)C)C1=C2C=CC=CC2=C(B2OC(C)(C)C(C)(C)O2)C2=CC=CC=C12
| PubChem CID | 57415691 |
|---|---|
| CAS | 863992-56-7 |
| Molecular Weight (g/mol) | 430.16 |
| MDL Number | MFCD16294538 |
| SMILES | CC1(C)OB(OC1(C)C)C1=C2C=CC=CC2=C(B2OC(C)(C)C(C)(C)O2)C2=CC=CC=C12 |
| Synonym | 9,10-anthracenediboronic acid bis pinacol ester,9,10-bis 4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl anthracene,4,4,5,5-tetramethyl-2-10-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl anthracen-9-yl-1,3,2-dioxaborolane,amtb237,anthracene-9,10-diboronic acid bis pinacol ester,9,10-bis 4,4,5,5-tetramethyl-1,3,2-dioxaborolanyl anthracene,9,10-bis 4,4,5,5-tetramethyl 1.3.2 dioxaborolan-2-yl anthracene,9,10-bis 4,4,5,5-tetramethyl-1,3,2-dioxaborolane-2-yl anthracene,1,3,2-dioxaborolane, 2,2'-9,10-anthracenediyl bis 4,4,5,5-tetramethyl |
| IUPAC Name | 4,4,5,5-tetramethyl-2-[10-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)anthracen-9-yl]-1,3,2-dioxaborolane |
| InChI Key | ZLXSWNVYGSZXOP-UHFFFAOYSA-N |
| Molecular Formula | C26H32B2O4 |
6-Amino-5-bromoquinoxaline 98.0+%, TCI America™
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CAS: 50358-63-9 Molecular Formula: C8H6BrN3 Molecular Weight (g/mol): 224.06 MDL Number: MFCD00799024 InChI Key: IRAOSCSPAYZRJE-UHFFFAOYSA-N PubChem CID: 14928442 IUPAC Name: 5-bromoquinoxalin-6-amine SMILES: NC1=CC=C2N=CC=NC2=C1Br
| PubChem CID | 14928442 |
|---|---|
| CAS | 50358-63-9 |
| Molecular Weight (g/mol) | 224.06 |
| MDL Number | MFCD00799024 |
| SMILES | NC1=CC=C2N=CC=NC2=C1Br |
| IUPAC Name | 5-bromoquinoxalin-6-amine |
| InChI Key | IRAOSCSPAYZRJE-UHFFFAOYSA-N |
| Molecular Formula | C8H6BrN3 |
3-Chloro-2-iodotoluene 95.0+%, TCI America™
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CAS: 5100-98-1 Molecular Formula: C7H6ClI Molecular Weight (g/mol): 252.479 MDL Number: MFCD00051756 InChI Key: FTGLKPMFTLNUBN-UHFFFAOYSA-N Synonym: 3-chloro-2-iodotoluene,toluene, 3-chloro-2-iodo,benzene, 1-chloro-2-iodo-3-methyl,pubchem3655,acmc-1asrb,ksc493o0b,1-chloro-2-iodo-3-methyl-benzene,buttpark 121\11-21,1-chloranyl-2-iodanyl-3-methyl-benzene PubChem CID: 138414 IUPAC Name: 1-chloro-2-iodo-3-methylbenzene SMILES: CC1=C(C(=CC=C1)Cl)I
| PubChem CID | 138414 |
|---|---|
| CAS | 5100-98-1 |
| Molecular Weight (g/mol) | 252.479 |
| MDL Number | MFCD00051756 |
| SMILES | CC1=C(C(=CC=C1)Cl)I |
| Synonym | 3-chloro-2-iodotoluene,toluene, 3-chloro-2-iodo,benzene, 1-chloro-2-iodo-3-methyl,pubchem3655,acmc-1asrb,ksc493o0b,1-chloro-2-iodo-3-methyl-benzene,buttpark 121\11-21,1-chloranyl-2-iodanyl-3-methyl-benzene |
| IUPAC Name | 1-chloro-2-iodo-3-methylbenzene |
| InChI Key | FTGLKPMFTLNUBN-UHFFFAOYSA-N |
| Molecular Formula | C7H6ClI |
3,4,5-Trimethoxybenzaldehyde 98.0+%, TCI America™
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CAS: 86-81-7 Molecular Formula: C10H12O4 Molecular Weight (g/mol): 196.202 MDL Number: MFCD00003364 InChI Key: OPHQOIGEOHXOGX-UHFFFAOYSA-N PubChem CID: 6858 IUPAC Name: 3,4,5-trimethoxybenzaldehyde SMILES: COC1=CC(=CC(=C1OC)OC)C=O
| PubChem CID | 6858 |
|---|---|
| CAS | 86-81-7 |
| Molecular Weight (g/mol) | 196.202 |
| MDL Number | MFCD00003364 |
| SMILES | COC1=CC(=CC(=C1OC)OC)C=O |
| IUPAC Name | 3,4,5-trimethoxybenzaldehyde |
| InChI Key | OPHQOIGEOHXOGX-UHFFFAOYSA-N |
| Molecular Formula | C10H12O4 |
(2,4-Difluorophenyl)-4-piperidylmethanone Oxime Hydrochloride 98.0+%, TCI America™
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CAS: 135634-18-3 Molecular Formula: C12H15ClF2N2O Molecular Weight (g/mol): 276.712 MDL Number: MFCD11869788 InChI Key: CPVWKXXFKMUDPA-UHFFFAOYSA-N PubChem CID: 57357481 IUPAC Name: N-[(2,4-difluorophenyl)-piperidin-4-ylmethylidene]hydroxylamine;hydrochloride SMILES: C1CNCCC1C(=NO)C2=C(C=C(C=C2)F)F.Cl
| PubChem CID | 57357481 |
|---|---|
| CAS | 135634-18-3 |
| Molecular Weight (g/mol) | 276.712 |
| MDL Number | MFCD11869788 |
| SMILES | C1CNCCC1C(=NO)C2=C(C=C(C=C2)F)F.Cl |
| IUPAC Name | N-[(2,4-difluorophenyl)-piperidin-4-ylmethylidene]hydroxylamine;hydrochloride |
| InChI Key | CPVWKXXFKMUDPA-UHFFFAOYSA-N |
| Molecular Formula | C12H15ClF2N2O |