Benzenoids
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Pentafluorophenyl 2-thiomorpholin-4-ylisonicotinate, 97%, Thermo Scientific™
CAS: 934570-42-0 Molecular Formula: C16H11F5N2O2S Molecular Weight (g/mol): 390.33 MDL Number: MFCD09702363 InChI Key: CXWZKWSFJLNFMF-UHFFFAOYSA-N Synonym: pentafluorophenyl 2-thiomorpholin-4-ylisonicotinate,pentafluorophenyl 2-thiomorpholin-4-ylpyridine-4-carboxylate,pentafluorophenyl 2-thiomorpholin-4-yl pyridine-4-carboxylate,2,3,4,5,6-pentakis fluoranyl phenyl 2-thiomorpholin-4-ylpyridine-4-carboxylate,2,3,4,5,6-pentafluorophenyl 2-thiomorpholin-4-yl pyridine-4-carboxylate,2-thiomorpholin-4-yl-4-pyridinecarboxylic acid 2,3,4,5,6-pentafluorophenyl ester PubChem CID: 24229510 IUPAC Name: (2,3,4,5,6-pentafluorophenyl) 2-thiomorpholin-4-ylpyridine-4-carboxylate SMILES: FC1=C(F)C(F)=C(OC(=O)C2=CC(=NC=C2)N2CCSCC2)C(F)=C1F
| PubChem CID | 24229510 |
|---|---|
| CAS | 934570-42-0 |
| Molecular Weight (g/mol) | 390.33 |
| MDL Number | MFCD09702363 |
| SMILES | FC1=C(F)C(F)=C(OC(=O)C2=CC(=NC=C2)N2CCSCC2)C(F)=C1F |
| Synonym | pentafluorophenyl 2-thiomorpholin-4-ylisonicotinate,pentafluorophenyl 2-thiomorpholin-4-ylpyridine-4-carboxylate,pentafluorophenyl 2-thiomorpholin-4-yl pyridine-4-carboxylate,2,3,4,5,6-pentakis fluoranyl phenyl 2-thiomorpholin-4-ylpyridine-4-carboxylate,2,3,4,5,6-pentafluorophenyl 2-thiomorpholin-4-yl pyridine-4-carboxylate,2-thiomorpholin-4-yl-4-pyridinecarboxylic acid 2,3,4,5,6-pentafluorophenyl ester |
| IUPAC Name | (2,3,4,5,6-pentafluorophenyl) 2-thiomorpholin-4-ylpyridine-4-carboxylate |
| InChI Key | CXWZKWSFJLNFMF-UHFFFAOYSA-N |
| Molecular Formula | C16H11F5N2O2S |
2,5-Diaminohydroquinone dihydrochloride, 97%
CAS: 24171-03-7 Molecular Formula: C6H10Cl2N2O2 Molecular Weight (g/mol): 213.058 MDL Number: MFCD00239416 InChI Key: NILKAWPWTYPHAH-UHFFFAOYSA-N Synonym: 2,5-diaminobenzene-1,4-diol dihydrochloride,2,5-diamino-1,4-dihydroxybenzene dihydrochloride,2,5-diaminohydroquinone dihydrochloride,acmc-20aobi,1,4-benzenediol, 2,5-diamino-, dihydrochloride,2,5-diaminobenzene-1,4-diol, chloride, chloride,1,4-benzenediol,2,5-diamino-,hydrochloride 1:2,2,5-diaminobenzene-1,4-diol-hydrogen chloride 1/2,2,5-diaminohydroquinone dihydrochloride, technical at PubChem CID: 16212088 IUPAC Name: 2,5-diaminobenzene-1,4-diol;dihydrochloride SMILES: C1=C(C(=CC(=C1O)N)O)N.Cl.Cl
| PubChem CID | 16212088 |
|---|---|
| CAS | 24171-03-7 |
| Molecular Weight (g/mol) | 213.058 |
| MDL Number | MFCD00239416 |
| SMILES | C1=C(C(=CC(=C1O)N)O)N.Cl.Cl |
| Synonym | 2,5-diaminobenzene-1,4-diol dihydrochloride,2,5-diamino-1,4-dihydroxybenzene dihydrochloride,2,5-diaminohydroquinone dihydrochloride,acmc-20aobi,1,4-benzenediol, 2,5-diamino-, dihydrochloride,2,5-diaminobenzene-1,4-diol, chloride, chloride,1,4-benzenediol,2,5-diamino-,hydrochloride 1:2,2,5-diaminobenzene-1,4-diol-hydrogen chloride 1/2,2,5-diaminohydroquinone dihydrochloride, technical at |
| IUPAC Name | 2,5-diaminobenzene-1,4-diol;dihydrochloride |
| InChI Key | NILKAWPWTYPHAH-UHFFFAOYSA-N |
| Molecular Formula | C6H10Cl2N2O2 |
(1S,2R)-(-)-cis-1-Amino-2-indanol, 99%
CAS: 126456-43-7 Molecular Formula: C9H12NO Molecular Weight (g/mol): 150.20 MDL Number: MFCD00216655 InChI Key: LOPKSXMQWBYUOI-BDAKNGLRSA-O PubChem CID: 9866743 SMILES: [NH3+][C@@H]1[C@H](O)CC2=CC=CC=C12
| PubChem CID | 9866743 |
|---|---|
| CAS | 126456-43-7 |
| Molecular Weight (g/mol) | 150.20 |
| MDL Number | MFCD00216655 |
| SMILES | [NH3+][C@@H]1[C@H](O)CC2=CC=CC=C12 |
| InChI Key | LOPKSXMQWBYUOI-BDAKNGLRSA-O |
| Molecular Formula | C9H12NO |
1-Bromo-2,4-dimethyl-5-nitrobenzene, 95%
CAS: 69383-59-1 Molecular Formula: C8H8BrNO2 Molecular Weight (g/mol): 230.06 MDL Number: MFCD00075824 InChI Key: HYYJANCKMGXHLQ-UHFFFAOYSA-N Synonym: 5-bromo-2,4-dimethylnitrobenzene,4-bromo-6-nitro-m-xylene,benzene, 1-bromo-2,4-dimethyl-5-nitro,1-bromo-2,4-dimethyl-5-nitro-benzene,2-nitro-4-bromo-m-xylene,2,4-dimethyl-5-nitro-1-bromobenzene,pubchem19926,benzene,1-bromo-2,4-dimethyl-5-nitro PubChem CID: 12474326 IUPAC Name: 1-bromo-2,4-dimethyl-5-nitrobenzene SMILES: CC1=CC(C)=C(Br)C=C1[N+]([O-])=O
| PubChem CID | 12474326 |
|---|---|
| CAS | 69383-59-1 |
| Molecular Weight (g/mol) | 230.06 |
| MDL Number | MFCD00075824 |
| SMILES | CC1=CC(C)=C(Br)C=C1[N+]([O-])=O |
| Synonym | 5-bromo-2,4-dimethylnitrobenzene,4-bromo-6-nitro-m-xylene,benzene, 1-bromo-2,4-dimethyl-5-nitro,1-bromo-2,4-dimethyl-5-nitro-benzene,2-nitro-4-bromo-m-xylene,2,4-dimethyl-5-nitro-1-bromobenzene,pubchem19926,benzene,1-bromo-2,4-dimethyl-5-nitro |
| IUPAC Name | 1-bromo-2,4-dimethyl-5-nitrobenzene |
| InChI Key | HYYJANCKMGXHLQ-UHFFFAOYSA-N |
| Molecular Formula | C8H8BrNO2 |
N-(2-Hydroxy-4-methylphenyl)acetamide, 97%, Thermo Scientific Chemicals
CAS: 13429-10-2 Molecular Formula: C9H11NO2 Molecular Weight (g/mol): 165.192 MDL Number: MFCD00012061 InChI Key: HTVPAACTHAQQAS-UHFFFAOYSA-N Synonym: n-2-hydroxy-4-methylphenyl acetamide,acetamide, n-2-hydroxy-4-methylphenyl,acetamide,n-2-hydroxy-4-methylphenyl,6-acetamino-m-kresol,2'-hydroxy-p-acetotoluidide,2'-hydroxy-4'-methylacetoanilide,2-acetamido-5-methylphenol,n-2-hydroxy-4-methyl-phenyl-acetamide PubChem CID: 83437 IUPAC Name: N-(2-hydroxy-4-methylphenyl)acetamide SMILES: CC1=CC(=C(C=C1)NC(=O)C)O
| PubChem CID | 83437 |
|---|---|
| CAS | 13429-10-2 |
| Molecular Weight (g/mol) | 165.192 |
| MDL Number | MFCD00012061 |
| SMILES | CC1=CC(=C(C=C1)NC(=O)C)O |
| Synonym | n-2-hydroxy-4-methylphenyl acetamide,acetamide, n-2-hydroxy-4-methylphenyl,acetamide,n-2-hydroxy-4-methylphenyl,6-acetamino-m-kresol,2'-hydroxy-p-acetotoluidide,2'-hydroxy-4'-methylacetoanilide,2-acetamido-5-methylphenol,n-2-hydroxy-4-methyl-phenyl-acetamide |
| IUPAC Name | N-(2-hydroxy-4-methylphenyl)acetamide |
| InChI Key | HTVPAACTHAQQAS-UHFFFAOYSA-N |
| Molecular Formula | C9H11NO2 |
alpha-Naphtholbenzein
CAS: 145-50-6 Molecular Formula: C27H18O2 Molecular Weight (g/mol): 374.439 MDL Number: MFCD00078492 InChI Key: VDDWRTZCUJCDJM-PNHLSOANSA-N PubChem CID: 5941340 IUPAC Name: (4Z)-4-[(4-hydroxynaphthalen-1-yl)-phenylmethylidene]naphthalen-1-one SMILES: C1=CC=C(C=C1)C(=C2C=CC(=O)C3=CC=CC=C23)C4=CC=C(C5=CC=CC=C54)O
| PubChem CID | 5941340 |
|---|---|
| CAS | 145-50-6 |
| Molecular Weight (g/mol) | 374.439 |
| MDL Number | MFCD00078492 |
| SMILES | C1=CC=C(C=C1)C(=C2C=CC(=O)C3=CC=CC=C23)C4=CC=C(C5=CC=CC=C54)O |
| IUPAC Name | (4Z)-4-[(4-hydroxynaphthalen-1-yl)-phenylmethylidene]naphthalen-1-one |
| InChI Key | VDDWRTZCUJCDJM-PNHLSOANSA-N |
| Molecular Formula | C27H18O2 |
4-Bromostyrene, 96%, stabilized
CAS: 2039-82-9 Molecular Formula: C8H7Br Molecular Weight (g/mol): 183.05 MDL Number: MFCD00000110 InChI Key: WGGLDBIZIQMEGH-UHFFFAOYSA-N Synonym: 4-bromostyrene,1-bromo-4-vinylbenzene,p-bromostyrene,benzene, 1-bromo-4-ethenyl,styrene, p-bromo,1-4-bromophenyl ethylene,unii-tvk4s80xlu,p-bromo styrene,1-bromo-4-vinyl-benzene,tvk4s80xlu PubChem CID: 16263 IUPAC Name: 1-bromo-4-ethenylbenzene SMILES: BrC1=CC=C(C=C)C=C1
| PubChem CID | 16263 |
|---|---|
| CAS | 2039-82-9 |
| Molecular Weight (g/mol) | 183.05 |
| MDL Number | MFCD00000110 |
| SMILES | BrC1=CC=C(C=C)C=C1 |
| Synonym | 4-bromostyrene,1-bromo-4-vinylbenzene,p-bromostyrene,benzene, 1-bromo-4-ethenyl,styrene, p-bromo,1-4-bromophenyl ethylene,unii-tvk4s80xlu,p-bromo styrene,1-bromo-4-vinyl-benzene,tvk4s80xlu |
| IUPAC Name | 1-bromo-4-ethenylbenzene |
| InChI Key | WGGLDBIZIQMEGH-UHFFFAOYSA-N |
| Molecular Formula | C8H7Br |
2,5-Dimethoxybenzonitrile, 98%
CAS: 5312-97-0 Molecular Formula: C9H9NO2 Molecular Weight (g/mol): 163.176 MDL Number: MFCD00016375 InChI Key: HWAMEJIMXIXLIH-UHFFFAOYSA-N PubChem CID: 79200 IUPAC Name: 2,5-dimethoxybenzonitrile SMILES: COC1=CC(=C(C=C1)OC)C#N
| PubChem CID | 79200 |
|---|---|
| CAS | 5312-97-0 |
| Molecular Weight (g/mol) | 163.176 |
| MDL Number | MFCD00016375 |
| SMILES | COC1=CC(=C(C=C1)OC)C#N |
| IUPAC Name | 2,5-dimethoxybenzonitrile |
| InChI Key | HWAMEJIMXIXLIH-UHFFFAOYSA-N |
| Molecular Formula | C9H9NO2 |
5-Fluoro-1,3-dimethyl-2-nitrobenzene, 98%
CAS: 315-12-8 Molecular Formula: C8H8FNO2 Molecular Weight (g/mol): 169.155 MDL Number: MFCD03413407 InChI Key: KDPQDERPJHLWGF-UHFFFAOYSA-N Synonym: 2,6-dimethyl-4-fluoronitrobenzene,5-fluoro-2-nitro-m-xylene,1,3-dimethyl-5-fluoro-2-nitrobenzene,benzene, 5-fluoro-1,3-dimethyl-2-nitro,4-fluoro-2,6-dimethyl-1-nitrobenzene,benzene,5-fluoro-1,3-dimethyl-2-nitro,5-fluoro-2-nitro-1,3-dimethylbenzene PubChem CID: 12651353 IUPAC Name: 5-fluoro-1,3-dimethyl-2-nitrobenzene SMILES: CC1=CC(=CC(=C1[N+](=O)[O-])C)F
| PubChem CID | 12651353 |
|---|---|
| CAS | 315-12-8 |
| Molecular Weight (g/mol) | 169.155 |
| MDL Number | MFCD03413407 |
| SMILES | CC1=CC(=CC(=C1[N+](=O)[O-])C)F |
| Synonym | 2,6-dimethyl-4-fluoronitrobenzene,5-fluoro-2-nitro-m-xylene,1,3-dimethyl-5-fluoro-2-nitrobenzene,benzene, 5-fluoro-1,3-dimethyl-2-nitro,4-fluoro-2,6-dimethyl-1-nitrobenzene,benzene,5-fluoro-1,3-dimethyl-2-nitro,5-fluoro-2-nitro-1,3-dimethylbenzene |
| IUPAC Name | 5-fluoro-1,3-dimethyl-2-nitrobenzene |
| InChI Key | KDPQDERPJHLWGF-UHFFFAOYSA-N |
| Molecular Formula | C8H8FNO2 |
2-Nitrophenylhydrazine, 97%, moistened with ca 30% water
CAS: 3034-19-3 Molecular Formula: C6H7N3O2 Molecular Weight (g/mol): 153.14 MDL Number: MFCD00007577 InChI Key: FRBUNLLUASHNDJ-UHFFFAOYSA-N Synonym: 2-nitrophenyl hydrazine,hydrazine, nitrophenyl,hydrazine, o-nitrophenyl,o-nitrophenylhydrazine,hydrazine, 2-nitrophenyl,2-nitrophenylhrdrazine,2-nitrophenyl diazane,pubchem12859,acmc-1agti,o-nitrophenyl hydrazine PubChem CID: 3314739 IUPAC Name: (2-nitrophenyl)hydrazine SMILES: C1=CC=C(C(=C1)NN)[N+](=O)[O-]
| PubChem CID | 3314739 |
|---|---|
| CAS | 3034-19-3 |
| Molecular Weight (g/mol) | 153.14 |
| MDL Number | MFCD00007577 |
| SMILES | C1=CC=C(C(=C1)NN)[N+](=O)[O-] |
| Synonym | 2-nitrophenyl hydrazine,hydrazine, nitrophenyl,hydrazine, o-nitrophenyl,o-nitrophenylhydrazine,hydrazine, 2-nitrophenyl,2-nitrophenylhrdrazine,2-nitrophenyl diazane,pubchem12859,acmc-1agti,o-nitrophenyl hydrazine |
| IUPAC Name | (2-nitrophenyl)hydrazine |
| InChI Key | FRBUNLLUASHNDJ-UHFFFAOYSA-N |
| Molecular Formula | C6H7N3O2 |
1-(4-Bromo-3-fluorophenyl)cyclopropanecarbonitrile, 96%
CAS: 749269-73-6 Molecular Formula: C10H7BrFN Molecular Weight (g/mol): 240.075 MDL Number: MFCD19692057 InChI Key: KVWJVBSLLYGPIM-UHFFFAOYSA-N Synonym: 1-4-bromo-3-fluorophenyl cyclopropane-1-carbonitrile,1-4-bromo-3-fluorophenyl cyclopropanecarbonitrile,cyclopropanecarbonitrile, 1-4-bromo-3-fluorophenyl,acmc-209owe,4-bromo-3-fluorophenylcyclopropanenitrile PubChem CID: 11715667 IUPAC Name: 1-(4-bromo-3-fluorophenyl)cyclopropane-1-carbonitrile SMILES: C1CC1(C#N)C2=CC(=C(C=C2)Br)F
| PubChem CID | 11715667 |
|---|---|
| CAS | 749269-73-6 |
| Molecular Weight (g/mol) | 240.075 |
| MDL Number | MFCD19692057 |
| SMILES | C1CC1(C#N)C2=CC(=C(C=C2)Br)F |
| Synonym | 1-4-bromo-3-fluorophenyl cyclopropane-1-carbonitrile,1-4-bromo-3-fluorophenyl cyclopropanecarbonitrile,cyclopropanecarbonitrile, 1-4-bromo-3-fluorophenyl,acmc-209owe,4-bromo-3-fluorophenylcyclopropanenitrile |
| IUPAC Name | 1-(4-bromo-3-fluorophenyl)cyclopropane-1-carbonitrile |
| InChI Key | KVWJVBSLLYGPIM-UHFFFAOYSA-N |
| Molecular Formula | C10H7BrFN |
4-Bromo-2-methoxyaniline, 98%, Thermo Scientific Chemicals
CAS: 59557-91-4 Molecular Formula: C7H8BrNO Molecular Weight (g/mol): 202.051 MDL Number: MFCD01204266 InChI Key: WRFYIYOXJWKONR-UHFFFAOYSA-N Synonym: 4-bromo-2-methoxy-phenylamine,2-amino-5-bromoanisole,4-bromo-o-anisidine,4-bromo-2-methoxyphenylamine,4-bromo-2-methoxy-aniline,2-methoxy-4-bromoaniline,benzenamine, 4-bromo-2-methoxy,pubchem2258,acmc-209meb,4-bromo-2-methoxy aniline PubChem CID: 459257 IUPAC Name: 4-bromo-2-methoxyaniline SMILES: COC1=C(C=CC(=C1)Br)N
| PubChem CID | 459257 |
|---|---|
| CAS | 59557-91-4 |
| Molecular Weight (g/mol) | 202.051 |
| MDL Number | MFCD01204266 |
| SMILES | COC1=C(C=CC(=C1)Br)N |
| Synonym | 4-bromo-2-methoxy-phenylamine,2-amino-5-bromoanisole,4-bromo-o-anisidine,4-bromo-2-methoxyphenylamine,4-bromo-2-methoxy-aniline,2-methoxy-4-bromoaniline,benzenamine, 4-bromo-2-methoxy,pubchem2258,acmc-209meb,4-bromo-2-methoxy aniline |
| IUPAC Name | 4-bromo-2-methoxyaniline |
| InChI Key | WRFYIYOXJWKONR-UHFFFAOYSA-N |
| Molecular Formula | C7H8BrNO |
Methyl 6-bromo-2-naphthoate, 98%
CAS: 33626-98-1 Molecular Formula: C12H9BrO2 Molecular Weight (g/mol): 265.106 MDL Number: MFCD00100408 InChI Key: JEUBRLPXJZOGPX-UHFFFAOYSA-N Synonym: methyl 6-bromo-2-naphthoate,methyl6-bromo-2-naphthoate,6-bromo-2-naphthalenecarboxylic acid methyl ester,6-bromo-2-naphthoic acid methyl ester,2-naphthalenecarboxylic acid, 6-bromo-, methyl ester,6-bromonaphthalene-2-carboxylic acid methyl ester,6-bromo-naphthalene-2-carboxylic acid methyl ester,pubchem9467,acmc-209i1z,6-bromo-2-methylnaphthoate PubChem CID: 854134 IUPAC Name: methyl 6-bromonaphthalene-2-carboxylate SMILES: COC(=O)C1=CC2=C(C=C1)C=C(C=C2)Br
| PubChem CID | 854134 |
|---|---|
| CAS | 33626-98-1 |
| Molecular Weight (g/mol) | 265.106 |
| MDL Number | MFCD00100408 |
| SMILES | COC(=O)C1=CC2=C(C=C1)C=C(C=C2)Br |
| Synonym | methyl 6-bromo-2-naphthoate,methyl6-bromo-2-naphthoate,6-bromo-2-naphthalenecarboxylic acid methyl ester,6-bromo-2-naphthoic acid methyl ester,2-naphthalenecarboxylic acid, 6-bromo-, methyl ester,6-bromonaphthalene-2-carboxylic acid methyl ester,6-bromo-naphthalene-2-carboxylic acid methyl ester,pubchem9467,acmc-209i1z,6-bromo-2-methylnaphthoate |
| IUPAC Name | methyl 6-bromonaphthalene-2-carboxylate |
| InChI Key | JEUBRLPXJZOGPX-UHFFFAOYSA-N |
| Molecular Formula | C12H9BrO2 |
1-(3-Fluorophenyl)-2-thiourea, 98%, Thermo Scientific™
CAS: 458-05-9 Molecular Formula: C7H7FN2S Molecular Weight (g/mol): 170.21 InChI Key: YKOBLHQALWQKTC-UHFFFAOYSA-N Synonym: 1-3-fluorophenyl-2-thiourea,1-3-fluorophenyl thiourea,3-fluorophenyl thiourea,n-3-fluorophenyl thiourea,amino 3-fluorophenyl amino methane-1-thione,acmc-20apbn,1-m-fluorophenyl thiourea,3-fluoro-phenyl-thiourea PubChem CID: 2734799 IUPAC Name: (3-fluorophenyl)thiourea SMILES: C1=CC(=CC(=C1)F)NC(=S)N
| PubChem CID | 2734799 |
|---|---|
| CAS | 458-05-9 |
| Molecular Weight (g/mol) | 170.21 |
| SMILES | C1=CC(=CC(=C1)F)NC(=S)N |
| Synonym | 1-3-fluorophenyl-2-thiourea,1-3-fluorophenyl thiourea,3-fluorophenyl thiourea,n-3-fluorophenyl thiourea,amino 3-fluorophenyl amino methane-1-thione,acmc-20apbn,1-m-fluorophenyl thiourea,3-fluoro-phenyl-thiourea |
| IUPAC Name | (3-fluorophenyl)thiourea |
| InChI Key | YKOBLHQALWQKTC-UHFFFAOYSA-N |
| Molecular Formula | C7H7FN2S |
4-Amino-m-cresol, 99+%
CAS: 2835-99-6 Molecular Formula: C7H9NO Molecular Weight (g/mol): 123.15 MDL Number: MFCD00007871 InChI Key: QGNGOGOOPUYKMC-UHFFFAOYSA-N Synonym: 4-amino-m-cresol,4-hydroxy-2-methylaniline,3-methyl-4-aminophenol,p-amino-m-cresol,phenol, 4-amino-3-methyl,p-hydroxy-o-toluidine,2-methyl-4-hydroxyaniline,2-amino-5-hydroxytoluene,m-cresol, 4-amino,4-amino-3-cresol PubChem CID: 17819 ChEBI: CHEBI:55546 IUPAC Name: 4-amino-3-methylphenol SMILES: CC1=C(C=CC(=C1)O)N
| PubChem CID | 17819 |
|---|---|
| CAS | 2835-99-6 |
| Molecular Weight (g/mol) | 123.15 |
| ChEBI | CHEBI:55546 |
| MDL Number | MFCD00007871 |
| SMILES | CC1=C(C=CC(=C1)O)N |
| Synonym | 4-amino-m-cresol,4-hydroxy-2-methylaniline,3-methyl-4-aminophenol,p-amino-m-cresol,phenol, 4-amino-3-methyl,p-hydroxy-o-toluidine,2-methyl-4-hydroxyaniline,2-amino-5-hydroxytoluene,m-cresol, 4-amino,4-amino-3-cresol |
| IUPAC Name | 4-amino-3-methylphenol |
| InChI Key | QGNGOGOOPUYKMC-UHFFFAOYSA-N |
| Molecular Formula | C7H9NO |