Benzenoids
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4-Hydroxy-2-(trifluoromethyl)benzonitrile, 98%
CAS: 320-42-3 Molecular Formula: C8H4F3NO Molecular Weight (g/mol): 187.121 MDL Number: MFCD06797340 InChI Key: MDBVIOUGHSKRMT-UHFFFAOYSA-N Synonym: 4-hydroxy-2-trifluoromethyl benzonitrile,4-hydroxy-2-trifluoroemthyl benzonitrile,pubchem4807,2-cyano-5-hydroxybenzotrifluoride,4-cyano-3-trifluoromethyl phenol,4-hydroxy-2-trifluoromethyl-benzonitrile,benzonitrile, 4-hydroxy-2-trifluoromethyl,4-hydroxy-2-trifluoromethyl benzenecarbonitrile PubChem CID: 2783153 IUPAC Name: 4-hydroxy-2-(trifluoromethyl)benzonitrile SMILES: C1=CC(=C(C=C1O)C(F)(F)F)C#N
| PubChem CID | 2783153 |
|---|---|
| CAS | 320-42-3 |
| Molecular Weight (g/mol) | 187.121 |
| MDL Number | MFCD06797340 |
| SMILES | C1=CC(=C(C=C1O)C(F)(F)F)C#N |
| Synonym | 4-hydroxy-2-trifluoromethyl benzonitrile,4-hydroxy-2-trifluoroemthyl benzonitrile,pubchem4807,2-cyano-5-hydroxybenzotrifluoride,4-cyano-3-trifluoromethyl phenol,4-hydroxy-2-trifluoromethyl-benzonitrile,benzonitrile, 4-hydroxy-2-trifluoromethyl,4-hydroxy-2-trifluoromethyl benzenecarbonitrile |
| IUPAC Name | 4-hydroxy-2-(trifluoromethyl)benzonitrile |
| InChI Key | MDBVIOUGHSKRMT-UHFFFAOYSA-N |
| Molecular Formula | C8H4F3NO |
(R)-(-)-8-Diphenylphosphino-1,2,3,4-tetrahydro-1-naphthylamine, 97+%
CAS: 960128-64-7 Molecular Formula: C22H22NP Molecular Weight (g/mol): 331.40 MDL Number: MFCD16621442 InChI Key: KTWOFTBMHDQUEE-GNLPSFAGNA-N Synonym: r-8-diphenylphosphino-1,2,3,4-tetrahydronaphthalen-1-amine,r-1-amino-8-diphenylphosphino-1,2,3,4-tetrahydronaphthalene,1r-8-diphenylphosphanyl-1,2,3,4-tetrahydronaphthalen-1-amine,1r-8-diphenylphosphino tetralin-1-amine,1r-8-diphenylphosphanyl-1,2,3,4-tetrahydronaphthalen-1-ami,r-8-diphenylphosphanyl-1,2,3,4-tetrahydronaphthalen-1-amine,r---8-diphenylphosphino-1,2,3,4-tetrahydro-1-naphthylamine,r---8-diphenylphosphino-1,2,3,4-tetrahydro-1-naphthylamine, 97+% PubChem CID: 71309688 IUPAC Name: (1R)-8-diphenylphosphanyl-1,2,3,4-tetrahydronaphthalen-1-amine SMILES: N[C@@H]1CCCC2=C1C(=CC=C2)P(C1=CC=CC=C1)C1=CC=CC=C1
| PubChem CID | 71309688 |
|---|---|
| CAS | 960128-64-7 |
| Molecular Weight (g/mol) | 331.40 |
| MDL Number | MFCD16621442 |
| SMILES | N[C@@H]1CCCC2=C1C(=CC=C2)P(C1=CC=CC=C1)C1=CC=CC=C1 |
| Synonym | r-8-diphenylphosphino-1,2,3,4-tetrahydronaphthalen-1-amine,r-1-amino-8-diphenylphosphino-1,2,3,4-tetrahydronaphthalene,1r-8-diphenylphosphanyl-1,2,3,4-tetrahydronaphthalen-1-amine,1r-8-diphenylphosphino tetralin-1-amine,1r-8-diphenylphosphanyl-1,2,3,4-tetrahydronaphthalen-1-ami,r-8-diphenylphosphanyl-1,2,3,4-tetrahydronaphthalen-1-amine,r---8-diphenylphosphino-1,2,3,4-tetrahydro-1-naphthylamine,r---8-diphenylphosphino-1,2,3,4-tetrahydro-1-naphthylamine, 97+% |
| IUPAC Name | (1R)-8-diphenylphosphanyl-1,2,3,4-tetrahydronaphthalen-1-amine |
| InChI Key | KTWOFTBMHDQUEE-GNLPSFAGNA-N |
| Molecular Formula | C22H22NP |
3-[(6-Methylpyrazin-2-yl)oxy]benzylamine, 97%, Thermo Scientific™
CAS: 941716-89-8 Molecular Formula: C12H13N3O Molecular Weight (g/mol): 215.256 MDL Number: MFCD09817526 InChI Key: PJVRJIDLKXDROC-UHFFFAOYSA-N Synonym: 3-6-methylpyrazin-2-yl oxy benzylamine,3-6-methylpyrazin-2-yl oxy phenyl methanamine,1-3-6-methylpyrazin-2-yl oxy phenyl methanamine,3-6-methylpyrazin-2-yloxy phenyl methylamine,3-6-methylpyrazin-2-yl oxy phenyl methylamine PubChem CID: 24229681 IUPAC Name: [3-(6-methylpyrazin-2-yl)oxyphenyl]methanamine SMILES: CC1=CN=CC(=N1)OC2=CC=CC(=C2)CN
| PubChem CID | 24229681 |
|---|---|
| CAS | 941716-89-8 |
| Molecular Weight (g/mol) | 215.256 |
| MDL Number | MFCD09817526 |
| SMILES | CC1=CN=CC(=N1)OC2=CC=CC(=C2)CN |
| Synonym | 3-6-methylpyrazin-2-yl oxy benzylamine,3-6-methylpyrazin-2-yl oxy phenyl methanamine,1-3-6-methylpyrazin-2-yl oxy phenyl methanamine,3-6-methylpyrazin-2-yloxy phenyl methylamine,3-6-methylpyrazin-2-yl oxy phenyl methylamine |
| IUPAC Name | [3-(6-methylpyrazin-2-yl)oxyphenyl]methanamine |
| InChI Key | PJVRJIDLKXDROC-UHFFFAOYSA-N |
| Molecular Formula | C12H13N3O |
3-[(6-Methylpyrazin-2-yl)oxy]aniline, 97%, Thermo Scientific™
CAS: 915707-61-8 Molecular Formula: C11H11N3O Molecular Weight (g/mol): 201.229 MDL Number: MFCD09702406 InChI Key: ZFDWDKWQAXTCSU-UHFFFAOYSA-N PubChem CID: 24229682 IUPAC Name: 3-(6-methylpyrazin-2-yl)oxyaniline SMILES: CC1=CN=CC(=N1)OC2=CC=CC(=C2)N
| PubChem CID | 24229682 |
|---|---|
| CAS | 915707-61-8 |
| Molecular Weight (g/mol) | 201.229 |
| MDL Number | MFCD09702406 |
| SMILES | CC1=CN=CC(=N1)OC2=CC=CC(=C2)N |
| IUPAC Name | 3-(6-methylpyrazin-2-yl)oxyaniline |
| InChI Key | ZFDWDKWQAXTCSU-UHFFFAOYSA-N |
| Molecular Formula | C11H11N3O |
4-Chloro-2,6-dimethylphenol, 98%
CAS: 1123-63-3 Molecular Formula: C8H9ClO Molecular Weight (g/mol): 156.609 MDL Number: MFCD00020138 InChI Key: VWYKSJIPZHRLNO-UHFFFAOYSA-N PubChem CID: 70747 IUPAC Name: 4-chloro-2,6-dimethylphenol SMILES: CC1=CC(=CC(=C1O)C)Cl
| PubChem CID | 70747 |
|---|---|
| CAS | 1123-63-3 |
| Molecular Weight (g/mol) | 156.609 |
| MDL Number | MFCD00020138 |
| SMILES | CC1=CC(=CC(=C1O)C)Cl |
| IUPAC Name | 4-chloro-2,6-dimethylphenol |
| InChI Key | VWYKSJIPZHRLNO-UHFFFAOYSA-N |
| Molecular Formula | C8H9ClO |
Benzophenone, 99%, Spectrum™ Chemical
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CAS: 119-61-9
| CAS | 119-61-9 |
|---|
Cumene Hydroperoxide, 77%, Spectrum™ Chemical
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CAS: 80-15-9 Molecular Formula: C9H12O2 Molecular Weight (g/mol): 152.19 MDL Number: MFCD00002129 InChI Key: YQHLDYVWEZKEOX-UHFFFAOYSA-N IUPAC Name: 2-phenylpropane-2-peroxol SMILES: CC(C)(OO)C1=CC=CC=C1
| CAS | 80-15-9 |
|---|---|
| Molecular Weight (g/mol) | 152.19 |
| MDL Number | MFCD00002129 |
| SMILES | CC(C)(OO)C1=CC=CC=C1 |
| IUPAC Name | 2-phenylpropane-2-peroxol |
| InChI Key | YQHLDYVWEZKEOX-UHFFFAOYSA-N |
| Molecular Formula | C9H12O2 |
1-(4-Fluorophenyl)cyclopentanecarbonitrile, 99%, Thermo Scientific™
CAS: 83706-50-7 Molecular Formula: C12H12FN Molecular Weight (g/mol): 189.09 MDL Number: MFCD00800616 InChI Key: MAGOCEYAQAZRNE-UHFFFAOYSA-N Synonym: 1-4-fluorophenyl cyclopentanecarbonitrile,1-4-fluorophenyl cyclopentane-1-carbonitrile,1-4-fluoro-phenyl-cyclopentanecarbonitrile,cyclopentanecarbonitrile,1-4-fluorophenyl PubChem CID: 2733239 IUPAC Name: 1-(4-fluorophenyl)cyclopentane-1-carbonitrile SMILES: C1CCC(C1)(C#N)C2=CC=C(C=C2)F
| PubChem CID | 2733239 |
|---|---|
| CAS | 83706-50-7 |
| Molecular Weight (g/mol) | 189.09 |
| MDL Number | MFCD00800616 |
| SMILES | C1CCC(C1)(C#N)C2=CC=C(C=C2)F |
| Synonym | 1-4-fluorophenyl cyclopentanecarbonitrile,1-4-fluorophenyl cyclopentane-1-carbonitrile,1-4-fluoro-phenyl-cyclopentanecarbonitrile,cyclopentanecarbonitrile,1-4-fluorophenyl |
| IUPAC Name | 1-(4-fluorophenyl)cyclopentane-1-carbonitrile |
| InChI Key | MAGOCEYAQAZRNE-UHFFFAOYSA-N |
| Molecular Formula | C12H12FN |
N,N-Diethylsalicylamide, 97%
CAS: 19311-91-2 Molecular Formula: C11H15NO2 Molecular Weight (g/mol): 193.24 InChI Key: ZVYXEXAXXWINEH-UHFFFAOYSA-N Synonym: n,n-diethylsalicylamide,diethylsalicylamide,salicyldiethylamide,salicylamide, n,n-diethyl,benzamide, n,n-diethyl-2-hydroxy,o-hydroxy-n,n-diethylbenzamide,unii-hg05mo88tl,hg05mo88tl,acmc-20ak91,2-hydroxy-n,n-diethylbenzamide PubChem CID: 88006 IUPAC Name: N,N-diethyl-2-hydroxybenzamide SMILES: CCN(CC)C(=O)C1=CC=CC=C1O
| PubChem CID | 88006 |
|---|---|
| CAS | 19311-91-2 |
| Molecular Weight (g/mol) | 193.24 |
| SMILES | CCN(CC)C(=O)C1=CC=CC=C1O |
| Synonym | n,n-diethylsalicylamide,diethylsalicylamide,salicyldiethylamide,salicylamide, n,n-diethyl,benzamide, n,n-diethyl-2-hydroxy,o-hydroxy-n,n-diethylbenzamide,unii-hg05mo88tl,hg05mo88tl,acmc-20ak91,2-hydroxy-n,n-diethylbenzamide |
| IUPAC Name | N,N-diethyl-2-hydroxybenzamide |
| InChI Key | ZVYXEXAXXWINEH-UHFFFAOYSA-N |
| Molecular Formula | C11H15NO2 |
2-Phenoxyaniline, 98%, Thermo Scientific Chemicals
CAS: 2688-84-8 Molecular Formula: C12H11NO Molecular Weight (g/mol): 185.22 MDL Number: MFCD00035765 InChI Key: NMFFUUFPJJOWHK-UHFFFAOYSA-N Synonym: 2-aminodiphenyl ether,o-phenoxyaniline,2-aminophenyl phenyl ether,benzenamine, 2-phenoxy,2-ade,2-phenoxybenzenamine,o-aminophenyl phenyl ether,aniline, 2-phenoxy,aniline, o-phenoxy,2-phonoxyaniline PubChem CID: 75899 IUPAC Name: 2-phenoxyaniline SMILES: C1=CC=C(C=C1)OC2=CC=CC=C2N
| PubChem CID | 75899 |
|---|---|
| CAS | 2688-84-8 |
| Molecular Weight (g/mol) | 185.22 |
| MDL Number | MFCD00035765 |
| SMILES | C1=CC=C(C=C1)OC2=CC=CC=C2N |
| Synonym | 2-aminodiphenyl ether,o-phenoxyaniline,2-aminophenyl phenyl ether,benzenamine, 2-phenoxy,2-ade,2-phenoxybenzenamine,o-aminophenyl phenyl ether,aniline, 2-phenoxy,aniline, o-phenoxy,2-phonoxyaniline |
| IUPAC Name | 2-phenoxyaniline |
| InChI Key | NMFFUUFPJJOWHK-UHFFFAOYSA-N |
| Molecular Formula | C12H11NO |
N-Fmoc-L-beta-homoleucine, 95%
CAS: 193887-44-4 Molecular Formula: C22H25NO4 Molecular Weight (g/mol): 367.45 MDL Number: MFCD01863059 InChI Key: YLVSABQQLLRFIJ-HNNXBMFYSA-N Synonym: fmoc-beta-holeu-oh,fmoc-l-beta-homoleucine,fmoc-l-,a-homo-leu-oh,fmoc-beta-homoleu-oh,s-3-fmoc-amino-5-methylhexanoic acid,3s-3-9h-fluoren-9-ylmethoxy carbonyl amino-5-methylhexanoic acid,fmoc-?-holeu-oh,ambotzfaa6690,3s-3-9h-fluoren-9-ylmethoxycarbonylamino-5-methylhexanoic acid,fmoc-holeu-oh fmoc-homoleucine PubChem CID: 2761527 IUPAC Name: (3S)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-5-methylhexanoic acid SMILES: CC(C)C[C@@H](CC(O)=O)NC(=O)OCC1C2=CC=CC=C2C2=CC=CC=C12
| PubChem CID | 2761527 |
|---|---|
| CAS | 193887-44-4 |
| Molecular Weight (g/mol) | 367.45 |
| MDL Number | MFCD01863059 |
| SMILES | CC(C)C[C@@H](CC(O)=O)NC(=O)OCC1C2=CC=CC=C2C2=CC=CC=C12 |
| Synonym | fmoc-beta-holeu-oh,fmoc-l-beta-homoleucine,fmoc-l-,a-homo-leu-oh,fmoc-beta-homoleu-oh,s-3-fmoc-amino-5-methylhexanoic acid,3s-3-9h-fluoren-9-ylmethoxy carbonyl amino-5-methylhexanoic acid,fmoc-?-holeu-oh,ambotzfaa6690,3s-3-9h-fluoren-9-ylmethoxycarbonylamino-5-methylhexanoic acid,fmoc-holeu-oh fmoc-homoleucine |
| IUPAC Name | (3S)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-5-methylhexanoic acid |
| InChI Key | YLVSABQQLLRFIJ-HNNXBMFYSA-N |
| Molecular Formula | C22H25NO4 |
2-Fluoro-4-nitrobenzoic acid, 98%
CAS: 403-24-7 Molecular Formula: C7H4FNO4 Molecular Weight (g/mol): 185.11 MDL Number: MFCD00275565 InChI Key: MMWFMFZFCKADEL-UHFFFAOYSA-N Synonym: 2-fluoro-4-nitrobenzoic acid,2-fluoro-4-nitrobenzenecarboxylic acid,2-fluoro-4-nitrobenzoicacid,2-fluoro-4-nitro-benzoic acid,4-carboxy-3-fluoronitrobenzene,benzoic acid, 2-fluoro-4-nitro,pubchem1310,acmc-1cts9,2-fluoro4-nitrobenzoic acid,2-fluor-4-nitro-benzoesaure PubChem CID: 302679 SMILES: C1=CC(=C(C=C1[N+](=O)[O-])F)C(=O)O
| PubChem CID | 302679 |
|---|---|
| CAS | 403-24-7 |
| Molecular Weight (g/mol) | 185.11 |
| MDL Number | MFCD00275565 |
| SMILES | C1=CC(=C(C=C1[N+](=O)[O-])F)C(=O)O |
| Synonym | 2-fluoro-4-nitrobenzoic acid,2-fluoro-4-nitrobenzenecarboxylic acid,2-fluoro-4-nitrobenzoicacid,2-fluoro-4-nitro-benzoic acid,4-carboxy-3-fluoronitrobenzene,benzoic acid, 2-fluoro-4-nitro,pubchem1310,acmc-1cts9,2-fluoro4-nitrobenzoic acid,2-fluor-4-nitro-benzoesaure |
| InChI Key | MMWFMFZFCKADEL-UHFFFAOYSA-N |
| Molecular Formula | C7H4FNO4 |
Methyl 2-hydroxy-5-nitrobenzoate, 98%
CAS: 17302-46-4 Molecular Formula: C8H7NO5 Molecular Weight (g/mol): 197.146 MDL Number: MFCD00024695 InChI Key: UUBFELFUKFJSRD-UHFFFAOYSA-N Synonym: methyl 2-hydroxy-5-nitrobenzoate,methyl 5-nitrosalicylate,methyl-5-nitrosalicylate,5-nitrosalicylic acid methyl ester,benzoic acid, 2-hydroxy-5-nitro-, methyl ester,2-hydroxy-5-nitrobenzoic acid methyl ester,methyl 5-nitro-salicylate,acmc-20a62q,methyl 5-nitro-2-hydroxybenzoate,methyl-2-hydroxy-5-nitrobenzoate PubChem CID: 87041 SMILES: COC(=O)C1=C(C=CC(=C1)[N+](=O)[O-])O
| PubChem CID | 87041 |
|---|---|
| CAS | 17302-46-4 |
| Molecular Weight (g/mol) | 197.146 |
| MDL Number | MFCD00024695 |
| SMILES | COC(=O)C1=C(C=CC(=C1)[N+](=O)[O-])O |
| Synonym | methyl 2-hydroxy-5-nitrobenzoate,methyl 5-nitrosalicylate,methyl-5-nitrosalicylate,5-nitrosalicylic acid methyl ester,benzoic acid, 2-hydroxy-5-nitro-, methyl ester,2-hydroxy-5-nitrobenzoic acid methyl ester,methyl 5-nitro-salicylate,acmc-20a62q,methyl 5-nitro-2-hydroxybenzoate,methyl-2-hydroxy-5-nitrobenzoate |
| InChI Key | UUBFELFUKFJSRD-UHFFFAOYSA-N |
| Molecular Formula | C8H7NO5 |
Sodium Salicylate, Crystal, USP, 98-102%, Spectrum™ Chemical
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CAS: 54-21-7 Molecular Formula: C7H5NaO3 Molecular Weight (g/mol): 160.10 InChI Key: ABBQHOQBGMUPJH-UHFFFAOYSA-M IUPAC Name: sodium 2-hydroxybenzoate SMILES: [Na+].OC1=CC=CC=C1C([O-])=O
| CAS | 54-21-7 |
|---|---|
| Molecular Weight (g/mol) | 160.10 |
| SMILES | [Na+].OC1=CC=CC=C1C([O-])=O |
| IUPAC Name | sodium 2-hydroxybenzoate |
| InChI Key | ABBQHOQBGMUPJH-UHFFFAOYSA-M |
| Molecular Formula | C7H5NaO3 |
2-Hydroxybenzonitrile, 98%
CAS: 611-20-1 Molecular Formula: C7H5NO Molecular Weight (g/mol): 119.123 MDL Number: MFCD00002145 InChI Key: CHZCERSEMVWNHL-UHFFFAOYSA-N Synonym: 2-cyanophenol,o-cyanophenol,salicylonitrile,o-hydroxybenzonitrile,benzonitrile, 2-hydroxy,salicylnitrile,benzonitrile, hydroxy,benzonitrile, o-hydroxy,o-hydoxybenzonitrile,2-hydroxy-benzonitrile PubChem CID: 11907 IUPAC Name: 2-hydroxybenzonitrile SMILES: C1=CC=C(C(=C1)C#N)O
| PubChem CID | 11907 |
|---|---|
| CAS | 611-20-1 |
| Molecular Weight (g/mol) | 119.123 |
| MDL Number | MFCD00002145 |
| SMILES | C1=CC=C(C(=C1)C#N)O |
| Synonym | 2-cyanophenol,o-cyanophenol,salicylonitrile,o-hydroxybenzonitrile,benzonitrile, 2-hydroxy,salicylnitrile,benzonitrile, hydroxy,benzonitrile, o-hydroxy,o-hydoxybenzonitrile,2-hydroxy-benzonitrile |
| IUPAC Name | 2-hydroxybenzonitrile |
| InChI Key | CHZCERSEMVWNHL-UHFFFAOYSA-N |
| Molecular Formula | C7H5NO |