Benzenoids
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4-Ethoxybenzoic Acid 98.0+%, TCI America™
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CAS: 619-86-3 Molecular Formula: C9H10O3 Molecular Weight (g/mol): 166.176 MDL Number: MFCD00002545 InChI Key: SHSGDXCJYVZFTP-UHFFFAOYSA-N Synonym: p-ethoxybenzoic acid,benzoic acid, 4-ethoxy,benzoic acid, p-ethoxy,4-ethoxy-benzoic acid,unii-tzr23xeq7w,tzr23xeq7w,4-ethoxybenzoicacid,4ethoxybenzoic acid,pubchem2686,para-ethoxybenzoic acid PubChem CID: 12093 IUPAC Name: 4-ethoxybenzoic acid SMILES: CCOC1=CC=C(C=C1)C(=O)O
| PubChem CID | 12093 |
|---|---|
| CAS | 619-86-3 |
| Molecular Weight (g/mol) | 166.176 |
| MDL Number | MFCD00002545 |
| SMILES | CCOC1=CC=C(C=C1)C(=O)O |
| Synonym | p-ethoxybenzoic acid,benzoic acid, 4-ethoxy,benzoic acid, p-ethoxy,4-ethoxy-benzoic acid,unii-tzr23xeq7w,tzr23xeq7w,4-ethoxybenzoicacid,4ethoxybenzoic acid,pubchem2686,para-ethoxybenzoic acid |
| IUPAC Name | 4-ethoxybenzoic acid |
| InChI Key | SHSGDXCJYVZFTP-UHFFFAOYSA-N |
| Molecular Formula | C9H10O3 |
4'-Butyl-4-iodobiphenyl 98.0+%, TCI America™
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CAS: 199982-02-0 Molecular Formula: C16H17I Molecular Weight (g/mol): 336.216 MDL Number: MFCD16619281 InChI Key: KTEKHPDWAMYUBP-UHFFFAOYSA-N PubChem CID: 53417225 IUPAC Name: 1-butyl-4-(4-iodophenyl)benzene SMILES: CCCCC1=CC=C(C=C1)C2=CC=C(C=C2)I
| PubChem CID | 53417225 |
|---|---|
| CAS | 199982-02-0 |
| Molecular Weight (g/mol) | 336.216 |
| MDL Number | MFCD16619281 |
| SMILES | CCCCC1=CC=C(C=C1)C2=CC=C(C=C2)I |
| IUPAC Name | 1-butyl-4-(4-iodophenyl)benzene |
| InChI Key | KTEKHPDWAMYUBP-UHFFFAOYSA-N |
| Molecular Formula | C16H17I |
(1S,2S)-1,2-Bis(2-hydroxyphenyl)ethylenediamine 97.0+%, TCI America™
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CAS: 870991-68-7 Molecular Formula: C14H16N2O2 Molecular Weight (g/mol): 244.29 MDL Number: MFCD09751761 InChI Key: MRNPLGLZBUDMRE-UHFFFAOYNA-N Synonym: (1S,2S)-1,2-Diamino-1,2-bis(2-hydroxyphenyl)ethane, 2,2′C-[(1S,2S)-1,2-Diaminoethylene]bisphenol PubChem CID: 16218375 IUPAC Name: 2-[1,2-diamino-2-(2-hydroxyphenyl)ethyl]phenol SMILES: NC(C(N)C1=CC=CC=C1O)C1=CC=CC=C1O
| PubChem CID | 16218375 |
|---|---|
| CAS | 870991-68-7 |
| Molecular Weight (g/mol) | 244.29 |
| MDL Number | MFCD09751761 |
| SMILES | NC(C(N)C1=CC=CC=C1O)C1=CC=CC=C1O |
| Synonym | (1S,2S)-1,2-Diamino-1,2-bis(2-hydroxyphenyl)ethane, 2,2′C-[(1S,2S)-1,2-Diaminoethylene]bisphenol |
| IUPAC Name | 2-[1,2-diamino-2-(2-hydroxyphenyl)ethyl]phenol |
| InChI Key | MRNPLGLZBUDMRE-UHFFFAOYNA-N |
| Molecular Formula | C14H16N2O2 |
3,4,5-Trihydroxybenzaldehyde 98.0+%, TCI America™
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CAS: 13677-79-7 Molecular Formula: C7H6O4 Molecular Weight (g/mol): 154.12 MDL Number: MFCD00003371 InChI Key: RGZHEOWNTDJLAQ-UHFFFAOYSA-N Synonym: gallaldehyde,benzaldehyde, 3,4,5-trihydroxy,pyrogallol-5-carboxaldehyde,3,4,5-trihydroxy benzaldehyde,pubchem21300,3,4,5-trihydroxybenz,acmc-209c9s,3,4,5-trihydroxybenzaldhyde,3,4,5-trihydroxy-benzaldehyde,3,4,5-tris oxidanyl benzaldehyde PubChem CID: 83651 IUPAC Name: 3,4,5-trihydroxybenzaldehyde SMILES: OC1=CC(C=O)=CC(O)=C1O
| PubChem CID | 83651 |
|---|---|
| CAS | 13677-79-7 |
| Molecular Weight (g/mol) | 154.12 |
| MDL Number | MFCD00003371 |
| SMILES | OC1=CC(C=O)=CC(O)=C1O |
| Synonym | gallaldehyde,benzaldehyde, 3,4,5-trihydroxy,pyrogallol-5-carboxaldehyde,3,4,5-trihydroxy benzaldehyde,pubchem21300,3,4,5-trihydroxybenz,acmc-209c9s,3,4,5-trihydroxybenzaldhyde,3,4,5-trihydroxy-benzaldehyde,3,4,5-tris oxidanyl benzaldehyde |
| IUPAC Name | 3,4,5-trihydroxybenzaldehyde |
| InChI Key | RGZHEOWNTDJLAQ-UHFFFAOYSA-N |
| Molecular Formula | C7H6O4 |
2,4-Dichloro-N-methylbenzylamine 98.0+%, TCI America™
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CAS: 5013-77-4 Molecular Formula: C8H9Cl2N Molecular Weight (g/mol): 190.067 MDL Number: MFCD00045185 InChI Key: GUJXWKXDISDARD-UHFFFAOYSA-N Synonym: 2,4-dichlorobenzyl methylamine,n-methyl-2,4-dichlorobenzylamine,benzenemethanamine, 2,4-dichloro-n-methyl,2,4-dichlorophenyl methyl methyl amine,2,4-dichloro-n-methylbenzylamine,1-2,4-dichlorophenyl-n-methylmethanamine,2,4-dichlorophenyl-n-methylmethanamine,n-2,4-dichlorobenzyl-n-methylamine,1-2,4-dichlorophenyl-n-methyl-methanamine,2,4-dichlorobenzyl methyl amine PubChem CID: 485424 IUPAC Name: 1-(2,4-dichlorophenyl)-N-methylmethanamine SMILES: CNCC1=C(C=C(C=C1)Cl)Cl
| PubChem CID | 485424 |
|---|---|
| CAS | 5013-77-4 |
| Molecular Weight (g/mol) | 190.067 |
| MDL Number | MFCD00045185 |
| SMILES | CNCC1=C(C=C(C=C1)Cl)Cl |
| Synonym | 2,4-dichlorobenzyl methylamine,n-methyl-2,4-dichlorobenzylamine,benzenemethanamine, 2,4-dichloro-n-methyl,2,4-dichlorophenyl methyl methyl amine,2,4-dichloro-n-methylbenzylamine,1-2,4-dichlorophenyl-n-methylmethanamine,2,4-dichlorophenyl-n-methylmethanamine,n-2,4-dichlorobenzyl-n-methylamine,1-2,4-dichlorophenyl-n-methyl-methanamine,2,4-dichlorobenzyl methyl amine |
| IUPAC Name | 1-(2,4-dichlorophenyl)-N-methylmethanamine |
| InChI Key | GUJXWKXDISDARD-UHFFFAOYSA-N |
| Molecular Formula | C8H9Cl2N |
2-Bromo-5-fluorobenzonitrile 97.0+%, TCI America™
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CAS: 57381-39-2 Molecular Formula: C7H3BrFN Molecular Weight (g/mol): 200.01 MDL Number: MFCD00142875 InChI Key: MDHNVHCZDCSTMS-UHFFFAOYSA-N Synonym: 2-bromo-5-fluorobenzenecarbonitrile,2-bromo-5-fluoro-benzonitrile,benzonitrile, 2-bromo-5-fluoro,2-cyano-4-fluorobromobenzene,pubchem3218,bromofluorobenzonitrile2,acmc-1awgr,brc6h3 f cn,ksc496i7h,2-bromo-5-fluorobenzonitrile PubChem CID: 93654 IUPAC Name: 2-bromo-5-fluorobenzonitrile SMILES: FC1=CC=C(Br)C(=C1)C#N
| PubChem CID | 93654 |
|---|---|
| CAS | 57381-39-2 |
| Molecular Weight (g/mol) | 200.01 |
| MDL Number | MFCD00142875 |
| SMILES | FC1=CC=C(Br)C(=C1)C#N |
| Synonym | 2-bromo-5-fluorobenzenecarbonitrile,2-bromo-5-fluoro-benzonitrile,benzonitrile, 2-bromo-5-fluoro,2-cyano-4-fluorobromobenzene,pubchem3218,bromofluorobenzonitrile2,acmc-1awgr,brc6h3 f cn,ksc496i7h,2-bromo-5-fluorobenzonitrile |
| IUPAC Name | 2-bromo-5-fluorobenzonitrile |
| InChI Key | MDHNVHCZDCSTMS-UHFFFAOYSA-N |
| Molecular Formula | C7H3BrFN |
4-Fluoro-3-methoxybenzoic Acid 98.0+%, TCI America™
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CAS: 82846-18-2 Molecular Formula: C8H7FO3 Molecular Weight (g/mol): 170.139 MDL Number: MFCD00272134 InChI Key: LWGCZCMLPRMKIZ-UHFFFAOYSA-N Synonym: 3-methoxy-4-fluorobenzoic acid,4-fluoro-m-anisic acid,benzoic acid, 4-fluoro-3-methoxy,4-fluoro-3-methoxybenzoicacid,4-fluoro-3-methoxy-benzoic acid,4-fluoranyl-3-methoxy-benzoic acid,pubchem1394,acmc-209pqm,ksc495c0r,rarechem al bo 0973 PubChem CID: 598436 IUPAC Name: 4-fluoro-3-methoxybenzoic acid SMILES: COC1=C(C=CC(=C1)C(=O)O)F
| PubChem CID | 598436 |
|---|---|
| CAS | 82846-18-2 |
| Molecular Weight (g/mol) | 170.139 |
| MDL Number | MFCD00272134 |
| SMILES | COC1=C(C=CC(=C1)C(=O)O)F |
| Synonym | 3-methoxy-4-fluorobenzoic acid,4-fluoro-m-anisic acid,benzoic acid, 4-fluoro-3-methoxy,4-fluoro-3-methoxybenzoicacid,4-fluoro-3-methoxy-benzoic acid,4-fluoranyl-3-methoxy-benzoic acid,pubchem1394,acmc-209pqm,ksc495c0r,rarechem al bo 0973 |
| IUPAC Name | 4-fluoro-3-methoxybenzoic acid |
| InChI Key | LWGCZCMLPRMKIZ-UHFFFAOYSA-N |
| Molecular Formula | C8H7FO3 |
2,6-Dinitroaniline 95.0+%, TCI America™
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CAS: 606-22-4 Molecular Formula: C6H5N3O4 Molecular Weight (g/mol): 183.123 MDL Number: MFCD00007148 InChI Key: QFUSCYRJMXLNRB-UHFFFAOYSA-N Synonym: benzenamine, 2,6-dinitro,2,6-dinitrobenzenamine,aniline, 2,6-dinitro,unii-8w27g0qbd7,ccris 3108,pubchem22911,wln: wnr bz cnw,acmc-209ml1,2,6-dinitroaniline,2,6-dinitro-phenyl-amine PubChem CID: 69070 IUPAC Name: 2,6-dinitroaniline SMILES: C1=CC(=C(C(=C1)[N+](=O)[O-])N)[N+](=O)[O-]
| PubChem CID | 69070 |
|---|---|
| CAS | 606-22-4 |
| Molecular Weight (g/mol) | 183.123 |
| MDL Number | MFCD00007148 |
| SMILES | C1=CC(=C(C(=C1)[N+](=O)[O-])N)[N+](=O)[O-] |
| Synonym | benzenamine, 2,6-dinitro,2,6-dinitrobenzenamine,aniline, 2,6-dinitro,unii-8w27g0qbd7,ccris 3108,pubchem22911,wln: wnr bz cnw,acmc-209ml1,2,6-dinitroaniline,2,6-dinitro-phenyl-amine |
| IUPAC Name | 2,6-dinitroaniline |
| InChI Key | QFUSCYRJMXLNRB-UHFFFAOYSA-N |
| Molecular Formula | C6H5N3O4 |
3-Hydroxymethyl-2-methylbiphenyl 98.0+%, TCI America™
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CAS: 76350-90-8 Molecular Formula: C14H14O Molecular Weight (g/mol): 198.265 MDL Number: MFCD00134200 InChI Key: BGTLHJPGBIVQLJ-UHFFFAOYSA-N Synonym: 2-Methylbiphenyl-3-methanol PubChem CID: 596875 IUPAC Name: (2-methyl-3-phenylphenyl)methanol SMILES: CC1=C(C=CC=C1CO)C2=CC=CC=C2
| PubChem CID | 596875 |
|---|---|
| CAS | 76350-90-8 |
| Molecular Weight (g/mol) | 198.265 |
| MDL Number | MFCD00134200 |
| SMILES | CC1=C(C=CC=C1CO)C2=CC=CC=C2 |
| Synonym | 2-Methylbiphenyl-3-methanol |
| IUPAC Name | (2-methyl-3-phenylphenyl)methanol |
| InChI Key | BGTLHJPGBIVQLJ-UHFFFAOYSA-N |
| Molecular Formula | C14H14O |
3-Amino-4-methoxybenzamide 98.0+%, TCI America™
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CAS: 17481-27-5 Molecular Formula: C8H10N2O2 Molecular Weight (g/mol): 166.18 MDL Number: MFCD00017132 InChI Key: INCJNDAQNPWMPZ-UHFFFAOYSA-N Synonym: benzamide, 3-amino-4-methoxy,3-amino-p-anisamide,3-amino-4-methoxy-benzamide,3-amino-4-methoxy benzamide,acmc-209e8v,5-amino-4-methoxybenzamide,cambridge id 5306680,ksc495o3j,incjndaqnpwmpz-uhfffaoysa PubChem CID: 87135 IUPAC Name: 3-amino-4-methoxybenzamide SMILES: COC1=C(C=C(C=C1)C(=O)N)N
| PubChem CID | 87135 |
|---|---|
| CAS | 17481-27-5 |
| Molecular Weight (g/mol) | 166.18 |
| MDL Number | MFCD00017132 |
| SMILES | COC1=C(C=C(C=C1)C(=O)N)N |
| Synonym | benzamide, 3-amino-4-methoxy,3-amino-p-anisamide,3-amino-4-methoxy-benzamide,3-amino-4-methoxy benzamide,acmc-209e8v,5-amino-4-methoxybenzamide,cambridge id 5306680,ksc495o3j,incjndaqnpwmpz-uhfffaoysa |
| IUPAC Name | 3-amino-4-methoxybenzamide |
| InChI Key | INCJNDAQNPWMPZ-UHFFFAOYSA-N |
| Molecular Formula | C8H10N2O2 |
2,3,6-Trimethylphenol 98.0+%, TCI America™
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CAS: 2416-94-6 Molecular Formula: C9H12O Molecular Weight (g/mol): 136.19 MDL Number: MFCD00002229 InChI Key: QQOMQLYQAXGHSU-UHFFFAOYSA-N Synonym: 3-hydroxypseudocumene,phenol, 2,3,6-trimethyl,1-hydroxy-2,3,6-trimethylbenzene,2,3,6-trimethyl-phenol,unii-05wkl2l5lj,2,3,6-trimethyl phenol,05wkl2l5lj,dsstox_cid_2187,dsstox_rid_76518,dsstox_gsid_22187 PubChem CID: 17016 IUPAC Name: 2,3,6-trimethylphenol SMILES: CC1=CC=C(C)C(O)=C1C
| PubChem CID | 17016 |
|---|---|
| CAS | 2416-94-6 |
| Molecular Weight (g/mol) | 136.19 |
| MDL Number | MFCD00002229 |
| SMILES | CC1=CC=C(C)C(O)=C1C |
| Synonym | 3-hydroxypseudocumene,phenol, 2,3,6-trimethyl,1-hydroxy-2,3,6-trimethylbenzene,2,3,6-trimethyl-phenol,unii-05wkl2l5lj,2,3,6-trimethyl phenol,05wkl2l5lj,dsstox_cid_2187,dsstox_rid_76518,dsstox_gsid_22187 |
| IUPAC Name | 2,3,6-trimethylphenol |
| InChI Key | QQOMQLYQAXGHSU-UHFFFAOYSA-N |
| Molecular Formula | C9H12O |
6-Nitro-m-cresol 95.0+%, TCI America™
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CAS: 700-38-9 Molecular Formula: C7H7NO3 Molecular Weight (g/mol): 153.14 MDL Number: MFCD00007111 InChI Key: NQXUSSVLFOBRSE-UHFFFAOYSA-N Synonym: 6-nitro-m-cresol,phenol, 5-methyl-2-nitro,3-hydroxy-4-nitrotoluene,6-nitro-3-cresol,3-methyl-6-nitrophenol,m-cresol, 6-nitro,5-methyl-2-nitro-phenol,unii-z0b5eo9752,6-nitro-m-creso PubChem CID: 12788 IUPAC Name: 5-methyl-2-nitrophenol SMILES: CC1=CC=C(C(O)=C1)[N+]([O-])=O
| PubChem CID | 12788 |
|---|---|
| CAS | 700-38-9 |
| Molecular Weight (g/mol) | 153.14 |
| MDL Number | MFCD00007111 |
| SMILES | CC1=CC=C(C(O)=C1)[N+]([O-])=O |
| Synonym | 6-nitro-m-cresol,phenol, 5-methyl-2-nitro,3-hydroxy-4-nitrotoluene,6-nitro-3-cresol,3-methyl-6-nitrophenol,m-cresol, 6-nitro,5-methyl-2-nitro-phenol,unii-z0b5eo9752,6-nitro-m-creso |
| IUPAC Name | 5-methyl-2-nitrophenol |
| InChI Key | NQXUSSVLFOBRSE-UHFFFAOYSA-N |
| Molecular Formula | C7H7NO3 |
5-Phenoxyvaleric Acid 98.0+%, TCI America™
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CAS: 7170-40-3 Molecular Formula: C11H14O3 Molecular Weight (g/mol): 194.23 MDL Number: MFCD02093487 InChI Key: YYEBMOCMHWICRI-UHFFFAOYSA-N PubChem CID: 303586 IUPAC Name: 5-phenoxypentanoic acid SMILES: C1=CC=C(C=C1)OCCCCC(=O)O
| PubChem CID | 303586 |
|---|---|
| CAS | 7170-40-3 |
| Molecular Weight (g/mol) | 194.23 |
| MDL Number | MFCD02093487 |
| SMILES | C1=CC=C(C=C1)OCCCCC(=O)O |
| IUPAC Name | 5-phenoxypentanoic acid |
| InChI Key | YYEBMOCMHWICRI-UHFFFAOYSA-N |
| Molecular Formula | C11H14O3 |
(2E,4E)-5-Phenyl-2,4-pentadienoic Acid 98.0+%, TCI America™
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CAS: 28010-12-0 Molecular Formula: C11H10O2 Molecular Weight (g/mol): 174.199 MDL Number: MFCD00014018 InChI Key: FEIQOMCWGDNMHM-KBXRYBNXSA-N Synonym: (E,E)-Cinnamylideneacetic Acid PubChem CID: 1549512 IUPAC Name: (2E,4E)-5-phenylpenta-2,4-dienoic acid SMILES: C1=CC=C(C=C1)C=CC=CC(=O)O
| PubChem CID | 1549512 |
|---|---|
| CAS | 28010-12-0 |
| Molecular Weight (g/mol) | 174.199 |
| MDL Number | MFCD00014018 |
| SMILES | C1=CC=C(C=C1)C=CC=CC(=O)O |
| Synonym | (E,E)-Cinnamylideneacetic Acid |
| IUPAC Name | (2E,4E)-5-phenylpenta-2,4-dienoic acid |
| InChI Key | FEIQOMCWGDNMHM-KBXRYBNXSA-N |
| Molecular Formula | C11H10O2 |
N,N'-Dibenzylethylenediamine Diacetate 97.0+%, TCI America™
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CAS: 122-75-8 Molecular Formula: C20H28N2O4 Molecular Weight (g/mol): 360.454 MDL Number: MFCD00040588 InChI Key: MTRNNCLQPVCDLF-UHFFFAOYSA-N Synonym: n,n'-dibenzylethylenediamine diacetate,n1,n2-dibenzylethane-1,2-diamine diacetate,n,n'-dibenzyl ethylenediamine diacetate,benzathine diacetate,dbed diacetate,unii-x18b8x2c22,n,n'-dibenzylethylenediammonium di acetate,1,2-ethanediamine, n,n'-bis phenylmethyl-, diacetate,bis acetic acid ; benzathine,1,2-di benzylamino ethane diacetate PubChem CID: 31228 IUPAC Name: acetic acid;N,N'-dibenzylethane-1,2-diamine SMILES: CC(=O)O.CC(=O)O.C1=CC=C(C=C1)CNCCNCC2=CC=CC=C2
| PubChem CID | 31228 |
|---|---|
| CAS | 122-75-8 |
| Molecular Weight (g/mol) | 360.454 |
| MDL Number | MFCD00040588 |
| SMILES | CC(=O)O.CC(=O)O.C1=CC=C(C=C1)CNCCNCC2=CC=CC=C2 |
| Synonym | n,n'-dibenzylethylenediamine diacetate,n1,n2-dibenzylethane-1,2-diamine diacetate,n,n'-dibenzyl ethylenediamine diacetate,benzathine diacetate,dbed diacetate,unii-x18b8x2c22,n,n'-dibenzylethylenediammonium di acetate,1,2-ethanediamine, n,n'-bis phenylmethyl-, diacetate,bis acetic acid ; benzathine,1,2-di benzylamino ethane diacetate |
| IUPAC Name | acetic acid;N,N'-dibenzylethane-1,2-diamine |
| InChI Key | MTRNNCLQPVCDLF-UHFFFAOYSA-N |
| Molecular Formula | C20H28N2O4 |