Benzenoids
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Amodiaquin Dihydrochloride Dihydrate 98.0+%, TCI America™
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CAS: 6398-98-7 Molecular Formula: C20H28Cl3N3O3 Molecular Weight (g/mol): 464.812 MDL Number: MFCD00078857 InChI Key: YVNAYSHNIILOJS-UHFFFAOYSA-N Synonym: amodiaquin dihydrochloride dihydrate,amodiaquine hcl,amodiaquine hydrochloride,amodiaquine dihydrochloride dihydrate,unii-k6pw2s574l,4-7-chloroquinolin-4-yl amino-2-diethylamino methyl phenol dihydrochloride dihydrate,amodiaquine hydrochloride usp,cam-aq 1 PubChem CID: 64646 ChEBI: CHEBI:50652 IUPAC Name: 4-[(7-chloroquinolin-4-yl)amino]-2-(diethylaminomethyl)phenol;dihydrate;dihydrochloride SMILES: CCN(CC)CC1=C(C=CC(=C1)NC2=C3C=CC(=CC3=NC=C2)Cl)O.O.O.Cl.Cl
| PubChem CID | 64646 |
|---|---|
| CAS | 6398-98-7 |
| Molecular Weight (g/mol) | 464.812 |
| ChEBI | CHEBI:50652 |
| MDL Number | MFCD00078857 |
| SMILES | CCN(CC)CC1=C(C=CC(=C1)NC2=C3C=CC(=CC3=NC=C2)Cl)O.O.O.Cl.Cl |
| Synonym | amodiaquin dihydrochloride dihydrate,amodiaquine hcl,amodiaquine hydrochloride,amodiaquine dihydrochloride dihydrate,unii-k6pw2s574l,4-7-chloroquinolin-4-yl amino-2-diethylamino methyl phenol dihydrochloride dihydrate,amodiaquine hydrochloride usp,cam-aq 1 |
| IUPAC Name | 4-[(7-chloroquinolin-4-yl)amino]-2-(diethylaminomethyl)phenol;dihydrate;dihydrochloride |
| InChI Key | YVNAYSHNIILOJS-UHFFFAOYSA-N |
| Molecular Formula | C20H28Cl3N3O3 |
Methyl Acetylsalicylate 98.0+%, TCI America™
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CAS: 580-02-9 Molecular Formula: C10H10O4 Molecular Weight (g/mol): 194.186 MDL Number: MFCD00014978 InChI Key: ONWPLBKWMAUFGZ-UHFFFAOYSA-N Synonym: 2-Acetoxybenzoic Acid Methyl Ester, Methyl 2-Acetoxybenzoate, Acetylsalicylic Acid Methyl Ester PubChem CID: 68484 IUPAC Name: methyl 2-acetyloxybenzoate SMILES: CC(=O)OC1=CC=CC=C1C(=O)OC
| PubChem CID | 68484 |
|---|---|
| CAS | 580-02-9 |
| Molecular Weight (g/mol) | 194.186 |
| MDL Number | MFCD00014978 |
| SMILES | CC(=O)OC1=CC=CC=C1C(=O)OC |
| Synonym | 2-Acetoxybenzoic Acid Methyl Ester, Methyl 2-Acetoxybenzoate, Acetylsalicylic Acid Methyl Ester |
| IUPAC Name | methyl 2-acetyloxybenzoate |
| InChI Key | ONWPLBKWMAUFGZ-UHFFFAOYSA-N |
| Molecular Formula | C10H10O4 |
Ethyl 2-Chlorobenzoate 98.0+%, TCI America™
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Methyl 4-Methoxy-2-methylbenzoate 98.0+%, TCI America™
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CAS: 35598-05-1 Molecular Formula: C10H12O3 Molecular Weight (g/mol): 180.20 MDL Number: MFCD06203918 InChI Key: OGYAVWKYDVBIMW-UHFFFAOYSA-N Synonym: 4-Methoxy-2-methylbenzoic Acid Methyl Ester, Methyl 4-Methoxy-o-toluate, 4-Methoxy-o-toluic Acid Methyl Ester, Methyl 2-Methyl-p-anisate, 2-Methyl-p-anisic Acid Methyl Ester PubChem CID: 13257269 IUPAC Name: methyl 4-methoxy-2-methylbenzoate SMILES: COC(=O)C1=C(C)C=C(OC)C=C1
| PubChem CID | 13257269 |
|---|---|
| CAS | 35598-05-1 |
| Molecular Weight (g/mol) | 180.20 |
| MDL Number | MFCD06203918 |
| SMILES | COC(=O)C1=C(C)C=C(OC)C=C1 |
| Synonym | 4-Methoxy-2-methylbenzoic Acid Methyl Ester, Methyl 4-Methoxy-o-toluate, 4-Methoxy-o-toluic Acid Methyl Ester, Methyl 2-Methyl-p-anisate, 2-Methyl-p-anisic Acid Methyl Ester |
| IUPAC Name | methyl 4-methoxy-2-methylbenzoate |
| InChI Key | OGYAVWKYDVBIMW-UHFFFAOYSA-N |
| Molecular Formula | C10H12O3 |
4-Formyl-trans-stilbene 98.0+%, TCI America™
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CAS: 40200-69-9 Molecular Formula: C15H12O Molecular Weight (g/mol): 208.26 MDL Number: MFCD00011580 InChI Key: CLXSBHRRZNBTRT-VOTSOKGWSA-N Synonym: trans-4-Stilbenecarboxaldehyde PubChem CID: 5375876 IUPAC Name: 4-[(E)-2-phenylethenyl]benzaldehyde SMILES: C1=CC=C(C=C1)C=CC2=CC=C(C=C2)C=O
| PubChem CID | 5375876 |
|---|---|
| CAS | 40200-69-9 |
| Molecular Weight (g/mol) | 208.26 |
| MDL Number | MFCD00011580 |
| SMILES | C1=CC=C(C=C1)C=CC2=CC=C(C=C2)C=O |
| Synonym | trans-4-Stilbenecarboxaldehyde |
| IUPAC Name | 4-[(E)-2-phenylethenyl]benzaldehyde |
| InChI Key | CLXSBHRRZNBTRT-VOTSOKGWSA-N |
| Molecular Formula | C15H12O |
6-Fluoro-o-anisaldehyde 98.0+%, TCI America™
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CAS: 146137-74-8 Molecular Formula: C8H7FO2 Molecular Weight (g/mol): 154.14 MDL Number: MFCD01090998 InChI Key: UIOAYOIJMYMOEU-UHFFFAOYSA-N Synonym: 2-methoxy-6-fluorobenzaldehyde,6-fluoro-o-anisaldehyde,2-fluoro-6-methoxy-benzaldehyde,2-fluoro-6-mehoxybenzaldehyde,benzaldehyde, 2-fluoro-6-methoxy,2-fluoro-6-methoxybenzaldehyde,pubchem8486,acmc-209yud,3-fluoro-2-formylanisole,intermediates-zcf02117 PubChem CID: 2737357 IUPAC Name: 2-fluoro-6-methoxybenzaldehyde SMILES: COC1=C(C=O)C(F)=CC=C1
| PubChem CID | 2737357 |
|---|---|
| CAS | 146137-74-8 |
| Molecular Weight (g/mol) | 154.14 |
| MDL Number | MFCD01090998 |
| SMILES | COC1=C(C=O)C(F)=CC=C1 |
| Synonym | 2-methoxy-6-fluorobenzaldehyde,6-fluoro-o-anisaldehyde,2-fluoro-6-methoxy-benzaldehyde,2-fluoro-6-mehoxybenzaldehyde,benzaldehyde, 2-fluoro-6-methoxy,2-fluoro-6-methoxybenzaldehyde,pubchem8486,acmc-209yud,3-fluoro-2-formylanisole,intermediates-zcf02117 |
| IUPAC Name | 2-fluoro-6-methoxybenzaldehyde |
| InChI Key | UIOAYOIJMYMOEU-UHFFFAOYSA-N |
| Molecular Formula | C8H7FO2 |
Bufexamac 98.0+%, TCI America™
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CAS: 2438-72-4 Molecular Formula: C12H17NO3 Molecular Weight (g/mol): 223.272 MDL Number: MFCD00078936 InChI Key: MXJWRABVEGLYDG-UHFFFAOYSA-N Synonym: 2-(4-Butoxyphenyl)acetohydroxamic Acid PubChem CID: 2466 ChEBI: CHEBI:31317 IUPAC Name: 2-(4-butoxyphenyl)-N-hydroxyacetamide SMILES: CCCCOC1=CC=C(C=C1)CC(=O)NO
| PubChem CID | 2466 |
|---|---|
| CAS | 2438-72-4 |
| Molecular Weight (g/mol) | 223.272 |
| ChEBI | CHEBI:31317 |
| MDL Number | MFCD00078936 |
| SMILES | CCCCOC1=CC=C(C=C1)CC(=O)NO |
| Synonym | 2-(4-Butoxyphenyl)acetohydroxamic Acid |
| IUPAC Name | 2-(4-butoxyphenyl)-N-hydroxyacetamide |
| InChI Key | MXJWRABVEGLYDG-UHFFFAOYSA-N |
| Molecular Formula | C12H17NO3 |
Disodium 3-Hydroxy-2,7-naphthalenedisulfonate 85.0+%, TCI America™
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CAS: 135-51-3 Molecular Formula: C10H6Na2O7S2 Molecular Weight (g/mol): 348.251 MDL Number: MFCD00065915 InChI Key: VNEBWJSWMVTSHK-UHFFFAOYSA-L Synonym: Disodium 2-Naphthol-3,6-disulfonate, 3-Hydroxy-2,7-naphthalenedisulfonic Acid Disodium Salt, 2-Naphthol-3,6-disulfonic Acid Disodium Salt, R Acid Disodium Salt PubChem CID: 8673 IUPAC Name: disodium;3-hydroxynaphthalene-2,7-disulfonate SMILES: C1=CC(=CC2=CC(=C(C=C21)O)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]
| PubChem CID | 8673 |
|---|---|
| CAS | 135-51-3 |
| Molecular Weight (g/mol) | 348.251 |
| MDL Number | MFCD00065915 |
| SMILES | C1=CC(=CC2=CC(=C(C=C21)O)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+] |
| Synonym | Disodium 2-Naphthol-3,6-disulfonate, 3-Hydroxy-2,7-naphthalenedisulfonic Acid Disodium Salt, 2-Naphthol-3,6-disulfonic Acid Disodium Salt, R Acid Disodium Salt |
| IUPAC Name | disodium;3-hydroxynaphthalene-2,7-disulfonate |
| InChI Key | VNEBWJSWMVTSHK-UHFFFAOYSA-L |
| Molecular Formula | C10H6Na2O7S2 |
5-Bromo-2-methylbenzonitrile 98.0+%, TCI America™
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CAS: 156001-51-3 Molecular Formula: C8H6BrN Molecular Weight (g/mol): 196.047 MDL Number: MFCD08061920 InChI Key: WNVUTFDOGUGEIS-UHFFFAOYSA-N Synonym: 4-Bromo-2-cyanotoluene PubChem CID: 12994004 IUPAC Name: 5-bromo-2-methylbenzonitrile SMILES: CC1=C(C=C(C=C1)Br)C#N
| PubChem CID | 12994004 |
|---|---|
| CAS | 156001-51-3 |
| Molecular Weight (g/mol) | 196.047 |
| MDL Number | MFCD08061920 |
| SMILES | CC1=C(C=C(C=C1)Br)C#N |
| Synonym | 4-Bromo-2-cyanotoluene |
| IUPAC Name | 5-bromo-2-methylbenzonitrile |
| InChI Key | WNVUTFDOGUGEIS-UHFFFAOYSA-N |
| Molecular Formula | C8H6BrN |
2,4-Dichloro-5-fluorobenzoic Acid 98.0+%, TCI America™
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CAS: 86522-89-6 Molecular Formula: C7H2Cl2FO2 Molecular Weight (g/mol): 207.99 MDL Number: MFCD00075281 InChI Key: KZCWJHUTTSVCRO-UHFFFAOYSA-M Synonym: 2,4-dichloro-5-fluoro-benzoic acid,2,4-dichloro-5-fluoro benzoic acid,benzoic acid, 2,4-dichloro-5-fluoro,pubchem1338,maybridge1_002392,acmc-209qa7,ksc448a5p,rarechem al be 1219,timtec-bb sbb003459,2 4-dichloro-5-fluorobenzoic acid PubChem CID: 688138 IUPAC Name: 2,4-dichloro-5-fluorobenzoate SMILES: [O-]C(=O)C1=CC(F)=C(Cl)C=C1Cl
| PubChem CID | 688138 |
|---|---|
| CAS | 86522-89-6 |
| Molecular Weight (g/mol) | 207.99 |
| MDL Number | MFCD00075281 |
| SMILES | [O-]C(=O)C1=CC(F)=C(Cl)C=C1Cl |
| Synonym | 2,4-dichloro-5-fluoro-benzoic acid,2,4-dichloro-5-fluoro benzoic acid,benzoic acid, 2,4-dichloro-5-fluoro,pubchem1338,maybridge1_002392,acmc-209qa7,ksc448a5p,rarechem al be 1219,timtec-bb sbb003459,2 4-dichloro-5-fluorobenzoic acid |
| IUPAC Name | 2,4-dichloro-5-fluorobenzoate |
| InChI Key | KZCWJHUTTSVCRO-UHFFFAOYSA-M |
| Molecular Formula | C7H2Cl2FO2 |
2-Chloro-5-hydroxybenzotrifluoride 98.0+%, TCI America™
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CAS: 6294-93-5 Molecular Formula: C7H4ClF3O Molecular Weight (g/mol): 196.55 MDL Number: MFCD00042525 InChI Key: ZLFPIEUWXNRPNM-UHFFFAOYSA-N Synonym: 4-chloro-3-trifluoromethyl phenol,2-chloro-5-hydroxybenzotrifluoride,phenol, 4-chloro-3-trifluoromethyl,4-chloro-3-trifluoromethyl-phenol,phenol, p-chloro-m-trifluoromethyl,p-chloro-m-trifluoromethylphenol,2-chloro-5-hydroxybezotrifluoride,pubchem2863 PubChem CID: 80520 IUPAC Name: 4-chloro-3-(trifluoromethyl)phenol SMILES: OC1=CC=C(Cl)C(=C1)C(F)(F)F
| PubChem CID | 80520 |
|---|---|
| CAS | 6294-93-5 |
| Molecular Weight (g/mol) | 196.55 |
| MDL Number | MFCD00042525 |
| SMILES | OC1=CC=C(Cl)C(=C1)C(F)(F)F |
| Synonym | 4-chloro-3-trifluoromethyl phenol,2-chloro-5-hydroxybenzotrifluoride,phenol, 4-chloro-3-trifluoromethyl,4-chloro-3-trifluoromethyl-phenol,phenol, p-chloro-m-trifluoromethyl,p-chloro-m-trifluoromethylphenol,2-chloro-5-hydroxybezotrifluoride,pubchem2863 |
| IUPAC Name | 4-chloro-3-(trifluoromethyl)phenol |
| InChI Key | ZLFPIEUWXNRPNM-UHFFFAOYSA-N |
| Molecular Formula | C7H4ClF3O |
2,4-Dibromo-1-naphthol 98.0+%, TCI America™
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CAS: 2050-49-9 Molecular Formula: C10H6Br2O Molecular Weight (g/mol): 301.965 MDL Number: MFCD00059130 InChI Key: PSGUDVJPEWTBRM-UHFFFAOYSA-N PubChem CID: 94878 IUPAC Name: 2,4-dibromonaphthalen-1-ol SMILES: C1=CC=C2C(=C1)C(=CC(=C2O)Br)Br
| PubChem CID | 94878 |
|---|---|
| CAS | 2050-49-9 |
| Molecular Weight (g/mol) | 301.965 |
| MDL Number | MFCD00059130 |
| SMILES | C1=CC=C2C(=C1)C(=CC(=C2O)Br)Br |
| IUPAC Name | 2,4-dibromonaphthalen-1-ol |
| InChI Key | PSGUDVJPEWTBRM-UHFFFAOYSA-N |
| Molecular Formula | C10H6Br2O |
2-Methoxy-1-naphthoic Acid 98.0+%, TCI America™
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CAS: 947-62-6 Molecular Formula: C12H10O3 Molecular Weight (g/mol): 202.209 MDL Number: MFCD00021532 InChI Key: OSTYZAHQVPMQHI-UHFFFAOYSA-N Synonym: 2-methoxy-1-naphthoic acid,2-methoxynaphthoic acid,1-naphthalenecarboxylic acid, 2-methoxy,1-naphthoic acid, 2-methoxy,acmc-209rtt,2-methoxy-1-naphtoic acid,2-methoxy-1-naphthoic acid #,2-methoxy-1-naphthalenecarboxylic acid,1-naphthalenecarboxylicacid, 2-methoxy PubChem CID: 70356 IUPAC Name: 2-methoxynaphthalene-1-carboxylic acid SMILES: COC1=C(C2=CC=CC=C2C=C1)C(=O)O
| PubChem CID | 70356 |
|---|---|
| CAS | 947-62-6 |
| Molecular Weight (g/mol) | 202.209 |
| MDL Number | MFCD00021532 |
| SMILES | COC1=C(C2=CC=CC=C2C=C1)C(=O)O |
| Synonym | 2-methoxy-1-naphthoic acid,2-methoxynaphthoic acid,1-naphthalenecarboxylic acid, 2-methoxy,1-naphthoic acid, 2-methoxy,acmc-209rtt,2-methoxy-1-naphtoic acid,2-methoxy-1-naphthoic acid #,2-methoxy-1-naphthalenecarboxylic acid,1-naphthalenecarboxylicacid, 2-methoxy |
| IUPAC Name | 2-methoxynaphthalene-1-carboxylic acid |
| InChI Key | OSTYZAHQVPMQHI-UHFFFAOYSA-N |
| Molecular Formula | C12H10O3 |
2-Bromo-6-fluoroaniline 98.0+%, TCI America™
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CAS: 65896-11-9 Molecular Formula: C6H5BrFN Molecular Weight (g/mol): 190.02 MDL Number: MFCD01310982 InChI Key: ALZFPYUPNVLVQM-UHFFFAOYSA-N Synonym: benzenamine, 2-bromo-6-fluoro,2-bromo-6-fluoro-phenylamine,2-bromo-6-fluorobenzenamine,2-bromo-6-fluoro-aniline,2-bromo-6-fluoro aniline,2-bromo-6-fluorophenylamine,pubchem2923,acmc-209nsu,2-bromo-6-flouroaniline,ksc493o8h PubChem CID: 2782940 IUPAC Name: 2-bromo-6-fluoroaniline SMILES: NC1=C(F)C=CC=C1Br
| PubChem CID | 2782940 |
|---|---|
| CAS | 65896-11-9 |
| Molecular Weight (g/mol) | 190.02 |
| MDL Number | MFCD01310982 |
| SMILES | NC1=C(F)C=CC=C1Br |
| Synonym | benzenamine, 2-bromo-6-fluoro,2-bromo-6-fluoro-phenylamine,2-bromo-6-fluorobenzenamine,2-bromo-6-fluoro-aniline,2-bromo-6-fluoro aniline,2-bromo-6-fluorophenylamine,pubchem2923,acmc-209nsu,2-bromo-6-flouroaniline,ksc493o8h |
| IUPAC Name | 2-bromo-6-fluoroaniline |
| InChI Key | ALZFPYUPNVLVQM-UHFFFAOYSA-N |
| Molecular Formula | C6H5BrFN |
3-(Hydroxymethyl)biphenyl 96.0+%, TCI America™
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CAS: 69605-90-9 Molecular Formula: C13H12O Molecular Weight (g/mol): 184.24 MDL Number: MFCD08703631 InChI Key: WGUZZTGZDPJWSG-UHFFFAOYSA-N Synonym: Biphenyl-3-methanol, 3-Phenylbenzyl Alcohol PubChem CID: 603556 IUPAC Name: {[1,1'-biphenyl]-3-yl}methanol SMILES: OCC1=CC=CC(=C1)C1=CC=CC=C1
| PubChem CID | 603556 |
|---|---|
| CAS | 69605-90-9 |
| Molecular Weight (g/mol) | 184.24 |
| MDL Number | MFCD08703631 |
| SMILES | OCC1=CC=CC(=C1)C1=CC=CC=C1 |
| Synonym | Biphenyl-3-methanol, 3-Phenylbenzyl Alcohol |
| IUPAC Name | {[1,1'-biphenyl]-3-yl}methanol |
| InChI Key | WGUZZTGZDPJWSG-UHFFFAOYSA-N |
| Molecular Formula | C13H12O |