Benzenoids
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Diphenylcarbazone, suitable for colorimetric analysis
CAS: 538-62-5 Molecular Formula: C13H12N4O Molecular Weight (g/mol): 240.26 MDL Number: MFCD00003024 InChI Key: ZFWAHZCOKGWUIT-UHFFFAOYSA-N Synonym: 1,5-diphenylcarbazone,diazenecarboxylic acid, phenyl-, 2-phenylhydrazide,unii-5uyj4r0d5t,phenylazoformic acid 2-phenylhydrazide,sym-diphenylcarbazone,5uyj4r0d5t,chembl79409,3-hydroxy-1,5-diphenylformazan,phenyldiazenecarboxylic acid 2-phenylhydrazide,3-phenylamino-1-phenylimino urea PubChem CID: 10860 IUPAC Name: 1-anilino-3-phenyliminourea SMILES: C1=CC=C(C=C1)NNC(=O)N=NC2=CC=CC=C2
| PubChem CID | 10860 |
|---|---|
| CAS | 538-62-5 |
| Molecular Weight (g/mol) | 240.26 |
| MDL Number | MFCD00003024 |
| SMILES | C1=CC=C(C=C1)NNC(=O)N=NC2=CC=CC=C2 |
| Synonym | 1,5-diphenylcarbazone,diazenecarboxylic acid, phenyl-, 2-phenylhydrazide,unii-5uyj4r0d5t,phenylazoformic acid 2-phenylhydrazide,sym-diphenylcarbazone,5uyj4r0d5t,chembl79409,3-hydroxy-1,5-diphenylformazan,phenyldiazenecarboxylic acid 2-phenylhydrazide,3-phenylamino-1-phenylimino urea |
| IUPAC Name | 1-anilino-3-phenyliminourea |
| InChI Key | ZFWAHZCOKGWUIT-UHFFFAOYSA-N |
| Molecular Formula | C13H12N4O |
Ethyltriphenylphosphonium iodide, 98+%
CAS: 4736-60-1 Molecular Formula: C20H20IP Molecular Weight (g/mol): 418.26 MDL Number: MFCD00040352 InChI Key: SLAFUPJSGFVWPP-UHFFFAOYSA-M Synonym: ethyltriphenylphosphonium iodide,phosphonium, ethyltriphenyl-, iodide,ethyl triphenylphosphonium iodide,phenylphosphonium ethyl iodide,unii-xxz2v239jn,xxz2v239jn,ethyltriphenylphosphanium iodide,phosphonium, ethyltriphenyl-, iodide 1:1,ethyl triphenyl phosphanium iodide,ethyl triphenyl phosphonium iodide PubChem CID: 78474 IUPAC Name: ethyl(triphenyl)phosphanium;iodide SMILES: [I-].CC[P+](C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1
| PubChem CID | 78474 |
|---|---|
| CAS | 4736-60-1 |
| Molecular Weight (g/mol) | 418.26 |
| MDL Number | MFCD00040352 |
| SMILES | [I-].CC[P+](C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1 |
| Synonym | ethyltriphenylphosphonium iodide,phosphonium, ethyltriphenyl-, iodide,ethyl triphenylphosphonium iodide,phenylphosphonium ethyl iodide,unii-xxz2v239jn,xxz2v239jn,ethyltriphenylphosphanium iodide,phosphonium, ethyltriphenyl-, iodide 1:1,ethyl triphenyl phosphanium iodide,ethyl triphenyl phosphonium iodide |
| IUPAC Name | ethyl(triphenyl)phosphanium;iodide |
| InChI Key | SLAFUPJSGFVWPP-UHFFFAOYSA-M |
| Molecular Formula | C20H20IP |
Pentafluoroiodobenzene, 97%
CAS: 827-15-6 Molecular Formula: C6F5I Molecular Weight (g/mol): 293.962 MDL Number: MFCD00001032 InChI Key: OPYHNLNYCRZOGY-UHFFFAOYSA-N Synonym: iodopentafluorobenzene,pentafluoroiodobenzene,benzene, pentafluoroiodo,2,3,4,5,6-pentafluoroiodobenzene,iodoperfluorobenzene,pentafluorophenyl iodide,1,2,3,4,5-pentafluoro-6-iodo-benzene,perfluoroiodobenzene,ibf,pubchem19982 PubChem CID: 70008 IUPAC Name: 1,2,3,4,5-pentafluoro-6-iodobenzene SMILES: C1(=C(C(=C(C(=C1F)F)I)F)F)F
| PubChem CID | 70008 |
|---|---|
| CAS | 827-15-6 |
| Molecular Weight (g/mol) | 293.962 |
| MDL Number | MFCD00001032 |
| SMILES | C1(=C(C(=C(C(=C1F)F)I)F)F)F |
| Synonym | iodopentafluorobenzene,pentafluoroiodobenzene,benzene, pentafluoroiodo,2,3,4,5,6-pentafluoroiodobenzene,iodoperfluorobenzene,pentafluorophenyl iodide,1,2,3,4,5-pentafluoro-6-iodo-benzene,perfluoroiodobenzene,ibf,pubchem19982 |
| IUPAC Name | 1,2,3,4,5-pentafluoro-6-iodobenzene |
| InChI Key | OPYHNLNYCRZOGY-UHFFFAOYSA-N |
| Molecular Formula | C6F5I |
Anthrone, 95%
CAS: 90-44-8 Molecular Formula: C14H10O Molecular Weight (g/mol): 194.23 MDL Number: MFCD00001187 InChI Key: RJGDLRCDCYRQOQ-UHFFFAOYSA-N Synonym: anthrone,9 10h-anthracenone,carbothrone,anthranone,9-oxoanthracene,9,10-dihydro-9-oxoanthracene,az-o,anthracen-9 10h-one,anthracene, 9,10-dihydro-9-oxo,unii-fp0fj7k744 PubChem CID: 7018 ChEBI: CHEBI:33835 SMILES: O=C1C2=CC=CC=C2CC2=CC=CC=C12
| PubChem CID | 7018 |
|---|---|
| CAS | 90-44-8 |
| Molecular Weight (g/mol) | 194.23 |
| ChEBI | CHEBI:33835 |
| MDL Number | MFCD00001187 |
| SMILES | O=C1C2=CC=CC=C2CC2=CC=CC=C12 |
| Synonym | anthrone,9 10h-anthracenone,carbothrone,anthranone,9-oxoanthracene,9,10-dihydro-9-oxoanthracene,az-o,anthracen-9 10h-one,anthracene, 9,10-dihydro-9-oxo,unii-fp0fj7k744 |
| InChI Key | RJGDLRCDCYRQOQ-UHFFFAOYSA-N |
| Molecular Formula | C14H10O |
Caffeic Acid 98.0+%, TCI America™
CAS: 331-39-5 Molecular Formula: C9H8O4 Molecular Weight (g/mol): 180.159 MDL Number: MFCD00004392 InChI Key: QAIPRVGONGVQAS-DUXPYHPUSA-N Synonym: caffeic acid,3,4-dihydroxycinnamic acid,3-3,4-dihydroxyphenyl acrylic acid,trans-caffeate,3,4-dihydroxy-trans-cinnamate,2e-3-3,4-dihydroxyphenyl prop-2-enoic acid,3,4-dihydroxybenzeneacrylic acid,e-3-3,4-dihydroxyphenyl acrylic acid,trans-caffeic acid,3-3,4-dihydroxyphenyl propenoic acid PubChem CID: 689043 ChEBI: CHEBI:16433 IUPAC Name: (E)-3-(3,4-dihydroxyphenyl)prop-2-enoic acid SMILES: C1=CC(=C(C=C1C=CC(=O)O)O)O
| PubChem CID | 689043 |
|---|---|
| CAS | 331-39-5 |
| Molecular Weight (g/mol) | 180.159 |
| ChEBI | CHEBI:16433 |
| MDL Number | MFCD00004392 |
| SMILES | C1=CC(=C(C=C1C=CC(=O)O)O)O |
| Synonym | caffeic acid,3,4-dihydroxycinnamic acid,3-3,4-dihydroxyphenyl acrylic acid,trans-caffeate,3,4-dihydroxy-trans-cinnamate,2e-3-3,4-dihydroxyphenyl prop-2-enoic acid,3,4-dihydroxybenzeneacrylic acid,e-3-3,4-dihydroxyphenyl acrylic acid,trans-caffeic acid,3-3,4-dihydroxyphenyl propenoic acid |
| IUPAC Name | (E)-3-(3,4-dihydroxyphenyl)prop-2-enoic acid |
| InChI Key | QAIPRVGONGVQAS-DUXPYHPUSA-N |
| Molecular Formula | C9H8O4 |
Butylated Hydroxytoluene Crystalline MP Biomedicals
CAS: 128-37-0 Molecular Formula: C15H24O Molecular Weight (g/mol): 220.356 InChI Key: NLZUEZXRPGMBCV-UHFFFAOYSA-N Synonym: 2,6-di-tert-butyl-4-methylphenol,butylated hydroxytoluene,butylhydroxytoluene,2,6-di-tert-butyl-p-cresol,2,6-di-t-butyl-4-methylphenol,ionol,dbpc,dibunol,stavox,bht PubChem CID: 31404 ChEBI: CHEBI:34247 IUPAC Name: 2,6-ditert-butyl-4-methylphenol SMILES: CC1=CC(=C(C(=C1)C(C)(C)C)O)C(C)(C)C
| PubChem CID | 31404 |
|---|---|
| CAS | 128-37-0 |
| Molecular Weight (g/mol) | 220.356 |
| ChEBI | CHEBI:34247 |
| SMILES | CC1=CC(=C(C(=C1)C(C)(C)C)O)C(C)(C)C |
| Synonym | 2,6-di-tert-butyl-4-methylphenol,butylated hydroxytoluene,butylhydroxytoluene,2,6-di-tert-butyl-p-cresol,2,6-di-t-butyl-4-methylphenol,ionol,dbpc,dibunol,stavox,bht |
| IUPAC Name | 2,6-ditert-butyl-4-methylphenol |
| InChI Key | NLZUEZXRPGMBCV-UHFFFAOYSA-N |
| Molecular Formula | C15H24O |
Benzylamine 99.0+%, TCI America™
CAS: 100-46-9 Molecular Formula: C7H9N Molecular Weight (g/mol): 107.156 MDL Number: MFCD00008106 InChI Key: WGQKYBSKWIADBV-UHFFFAOYSA-N Synonym: benzylamine,benzenemethanamine,monobenzylamine,alpha-aminotoluene,phenylmethyl amine,aminomethyl benzene,1-phenylmethanamine,moringine,n-benzylamine,phenylmethylamine PubChem CID: 7504 ChEBI: CHEBI:40538 IUPAC Name: phenylmethanamine SMILES: C1=CC=C(C=C1)CN
| PubChem CID | 7504 |
|---|---|
| CAS | 100-46-9 |
| Molecular Weight (g/mol) | 107.156 |
| ChEBI | CHEBI:40538 |
| MDL Number | MFCD00008106 |
| SMILES | C1=CC=C(C=C1)CN |
| Synonym | benzylamine,benzenemethanamine,monobenzylamine,alpha-aminotoluene,phenylmethyl amine,aminomethyl benzene,1-phenylmethanamine,moringine,n-benzylamine,phenylmethylamine |
| IUPAC Name | phenylmethanamine |
| InChI Key | WGQKYBSKWIADBV-UHFFFAOYSA-N |
| Molecular Formula | C7H9N |
4-Aminobenzoic Acid 99.0+%, TCI America™
CAS: 150-13-0 Molecular Formula: C7H7NO2 Molecular Weight (g/mol): 137.14 MDL Number: MFCD00007894 InChI Key: ALYNCZNDIQEVRV-UHFFFAOYSA-N Synonym: p-aminobenzoic acid,paba,para-aminobenzoic acid,vitamin bx,sunbrella,p-carboxyaniline,4-carboxyaniline,hachemina,paraminol,benzoic acid, 4-amino PubChem CID: 978 ChEBI: CHEBI:30753 IUPAC Name: 4-aminobenzoic acid SMILES: NC1=CC=C(C=C1)C(O)=O
| PubChem CID | 978 |
|---|---|
| CAS | 150-13-0 |
| Molecular Weight (g/mol) | 137.14 |
| ChEBI | CHEBI:30753 |
| MDL Number | MFCD00007894 |
| SMILES | NC1=CC=C(C=C1)C(O)=O |
| Synonym | p-aminobenzoic acid,paba,para-aminobenzoic acid,vitamin bx,sunbrella,p-carboxyaniline,4-carboxyaniline,hachemina,paraminol,benzoic acid, 4-amino |
| IUPAC Name | 4-aminobenzoic acid |
| InChI Key | ALYNCZNDIQEVRV-UHFFFAOYSA-N |
| Molecular Formula | C7H7NO2 |
2,2'-Thiodiethylene Bis[3-(3,5-di-tert-butyl-4-hydroxyphenyl)propionate] 98.0+%, TCI America™
CAS: 41484-35-9 Molecular Formula: C38H58O6S Molecular Weight (g/mol): 642.94 MDL Number: MFCD00059346 InChI Key: VFBJXXJYHWLXRM-UHFFFAOYSA-N PubChem CID: 64883 IUPAC Name: 2-[(2-{[3-(3,5-di-tert-butyl-4-hydroxyphenyl)propanoyl]oxy}ethyl)sulfanyl]ethyl 3-(3,5-di-tert-butyl-4-hydroxyphenyl)propanoate SMILES: CC(C)(C)C1=CC(CCC(=O)OCCSCCOC(=O)CCC2=CC(=C(O)C(=C2)C(C)(C)C)C(C)(C)C)=CC(=C1O)C(C)(C)C
| PubChem CID | 64883 |
|---|---|
| CAS | 41484-35-9 |
| Molecular Weight (g/mol) | 642.94 |
| MDL Number | MFCD00059346 |
| SMILES | CC(C)(C)C1=CC(CCC(=O)OCCSCCOC(=O)CCC2=CC(=C(O)C(=C2)C(C)(C)C)C(C)(C)C)=CC(=C1O)C(C)(C)C |
| IUPAC Name | 2-[(2-{[3-(3,5-di-tert-butyl-4-hydroxyphenyl)propanoyl]oxy}ethyl)sulfanyl]ethyl 3-(3,5-di-tert-butyl-4-hydroxyphenyl)propanoate |
| InChI Key | VFBJXXJYHWLXRM-UHFFFAOYSA-N |
| Molecular Formula | C38H58O6S |
2,4-Dichlorophenol, 99%
CAS: 120-83-2 Molecular Formula: C6H4Cl2O Molecular Weight (g/mol): 163.00 MDL Number: MFCD00002169 InChI Key: HFZWRUODUSTPEG-UHFFFAOYSA-N Synonym: 4,6-dichlorophenol,phenol, 2,4-dichloro,2,4-dcp,2,4-dichloro-phenol,1-hydroxy-2,4-dichlorobenzene,rcra waste number u081,2,4-dichlorohydroxybenzene,ccris 657,rcra waste no. u081,1,3-dichloro-4-hydroxybenzene PubChem CID: 8449 ChEBI: CHEBI:16738 IUPAC Name: 2,4-dichlorophenol SMILES: OC1=CC=C(Cl)C=C1Cl
| PubChem CID | 8449 |
|---|---|
| CAS | 120-83-2 |
| Molecular Weight (g/mol) | 163.00 |
| ChEBI | CHEBI:16738 |
| MDL Number | MFCD00002169 |
| SMILES | OC1=CC=C(Cl)C=C1Cl |
| Synonym | 4,6-dichlorophenol,phenol, 2,4-dichloro,2,4-dcp,2,4-dichloro-phenol,1-hydroxy-2,4-dichlorobenzene,rcra waste number u081,2,4-dichlorohydroxybenzene,ccris 657,rcra waste no. u081,1,3-dichloro-4-hydroxybenzene |
| IUPAC Name | 2,4-dichlorophenol |
| InChI Key | HFZWRUODUSTPEG-UHFFFAOYSA-N |
| Molecular Formula | C6H4Cl2O |
Aloin
CAS: 1415-73-2 Molecular Formula: C21H22O9 Molecular Weight (g/mol): 418.40 MDL Number: MFCD00151160 InChI Key: AFHJQYHRLPMKHU-WEZNYRQKSA-N Synonym: barbaloin,aloin,aloin a,aloinum,aloin ban,dsstox_cid_25967,10s-1,8-dihydroxy-3-hydroxymethyl-10-2s,3r,4r,5s,6r-3,4,5-trihydroxy-6-hydroxymethyl oxan-2-yl-10h-anthracen-9-one,1s-1,5-anhydro-1-9s-4,5-dihydroxy-2-hydroxymethyl-10-oxo-9,10-dihydroanthracen-9-yl-d-glucitol,10-1',5'-anhydroglucosyl aloe-emodin-9-anthrone,barbaloin a PubChem CID: 12305761 ChEBI: CHEBI:2991 SMILES: OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)[C@@H]1C2=CC=CC(O)=C2C(=O)C2=C(O)C=C(CO)C=C12
| PubChem CID | 12305761 |
|---|---|
| CAS | 1415-73-2 |
| Molecular Weight (g/mol) | 418.40 |
| ChEBI | CHEBI:2991 |
| MDL Number | MFCD00151160 |
| SMILES | OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)[C@@H]1C2=CC=CC(O)=C2C(=O)C2=C(O)C=C(CO)C=C12 |
| Synonym | barbaloin,aloin,aloin a,aloinum,aloin ban,dsstox_cid_25967,10s-1,8-dihydroxy-3-hydroxymethyl-10-2s,3r,4r,5s,6r-3,4,5-trihydroxy-6-hydroxymethyl oxan-2-yl-10h-anthracen-9-one,1s-1,5-anhydro-1-9s-4,5-dihydroxy-2-hydroxymethyl-10-oxo-9,10-dihydroanthracen-9-yl-d-glucitol,10-1',5'-anhydroglucosyl aloe-emodin-9-anthrone,barbaloin a |
| InChI Key | AFHJQYHRLPMKHU-WEZNYRQKSA-N |
| Molecular Formula | C21H22O9 |
Ethyl 4-hydroxybenzoate, 99%
CAS: 120-47-8 Molecular Formula: C9H10O3 Molecular Weight (g/mol): 166.18 MDL Number: MFCD00002353 InChI Key: NUVBSKCKDOMJSU-UHFFFAOYSA-N Synonym: ethylparaben,ethyl paraben,ethyl p-hydroxybenzoate,mycocten,ethyl parasept,4-hydroxybenzoic acid ethyl ester,easeptol,ethyl butex,ethyl parahydroxybenzoate,tegosept e PubChem CID: 8434 ChEBI: CHEBI:86616 IUPAC Name: ethyl 4-hydroxybenzoate SMILES: CCOC(=O)C1=CC=C(C=C1)O
| PubChem CID | 8434 |
|---|---|
| CAS | 120-47-8 |
| Molecular Weight (g/mol) | 166.18 |
| ChEBI | CHEBI:86616 |
| MDL Number | MFCD00002353 |
| SMILES | CCOC(=O)C1=CC=C(C=C1)O |
| Synonym | ethylparaben,ethyl paraben,ethyl p-hydroxybenzoate,mycocten,ethyl parasept,4-hydroxybenzoic acid ethyl ester,easeptol,ethyl butex,ethyl parahydroxybenzoate,tegosept e |
| IUPAC Name | ethyl 4-hydroxybenzoate |
| InChI Key | NUVBSKCKDOMJSU-UHFFFAOYSA-N |
| Molecular Formula | C9H10O3 |
Phenylhydrazine 98.0+%, TCI America™
CAS: 100-63-0 Molecular Formula: C6H8N2 Molecular Weight (g/mol): 108.14 MDL Number: MFCD00007573 InChI Key: HKOOXMFOFWEVGF-UHFFFAOYSA-N Synonym: hydrazinobenzene,hydrazine, phenyl,phenylhydrazin,monophenylhydrazine,phenyl hydrazine,1-phenylhydrazine,hydrazine-benzene,fenilidrazina,fenylhydrazine,fenylhydrazine dutch PubChem CID: 7516 ChEBI: CHEBI:27924 IUPAC Name: phenylhydrazine SMILES: NNC1=CC=CC=C1
| PubChem CID | 7516 |
|---|---|
| CAS | 100-63-0 |
| Molecular Weight (g/mol) | 108.14 |
| ChEBI | CHEBI:27924 |
| MDL Number | MFCD00007573 |
| SMILES | NNC1=CC=CC=C1 |
| Synonym | hydrazinobenzene,hydrazine, phenyl,phenylhydrazin,monophenylhydrazine,phenyl hydrazine,1-phenylhydrazine,hydrazine-benzene,fenilidrazina,fenylhydrazine,fenylhydrazine dutch |
| IUPAC Name | phenylhydrazine |
| InChI Key | HKOOXMFOFWEVGF-UHFFFAOYSA-N |
| Molecular Formula | C6H8N2 |
Aluminon, ACS reagent
CAS: 569-58-4 Molecular Formula: C22H23N3O9 Molecular Weight (g/mol): 473.44 InChI Key: AIPNSHNRCQOTRI-UHFFFAOYSA-N Synonym: aluminon,ammonium aurintricarboxylate,aurintricarboxylic acid ammonium salt,aurintricarboxylic acid, acs PubChem CID: 54729869 ChEBI: CHEBI:87398 IUPAC Name: triazanium;5-[(3-carboxy-4-oxidophenyl)-(3-carboxy-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]-2-oxidobenzoate SMILES: C1=CC(=C(C=C1C(=C2C=CC(=O)C(=C2)C(=O)O)C3=CC(=C(C=C3)[O-])C(=O)[O-])C(=O)O)[O-].[NH4+].[NH4+].[NH4+]
| PubChem CID | 54729869 |
|---|---|
| CAS | 569-58-4 |
| Molecular Weight (g/mol) | 473.44 |
| ChEBI | CHEBI:87398 |
| SMILES | C1=CC(=C(C=C1C(=C2C=CC(=O)C(=C2)C(=O)O)C3=CC(=C(C=C3)[O-])C(=O)[O-])C(=O)O)[O-].[NH4+].[NH4+].[NH4+] |
| Synonym | aluminon,ammonium aurintricarboxylate,aurintricarboxylic acid ammonium salt,aurintricarboxylic acid, acs |
| IUPAC Name | triazanium;5-[(3-carboxy-4-oxidophenyl)-(3-carboxy-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]-2-oxidobenzoate |
| InChI Key | AIPNSHNRCQOTRI-UHFFFAOYSA-N |
| Molecular Formula | C22H23N3O9 |
o-Dianisidine dihydrochloride, 98%
CAS: 20325-40-0 Molecular Formula: C14H18Cl2N2O2 Molecular Weight (g/mol): 317.21 MDL Number: MFCD00012488 InChI Key: UXTIAFYTYOEQHV-UHFFFAOYSA-N Synonym: 3,3'-dimethoxybenzidine dihydrochloride,o-dianisidine dihydrochloride,3,3'-dimethoxy-1,1'-biphenyl-4,4'-diamine dihydrochloride,unii-qv96qa6ukk,dianisidine dihydrochloride,ccris 998,o-dianisidine hcl,qv96qa6ukk,c.i. disperse black 6 dihydrochloride PubChem CID: 62311 IUPAC Name: 4-(4-amino-3-methoxyphenyl)-2-methoxyaniline;dihydrochloride SMILES: COC1=C(C=CC(=C1)C2=CC(=C(C=C2)N)OC)N.Cl.Cl
| PubChem CID | 62311 |
|---|---|
| CAS | 20325-40-0 |
| Molecular Weight (g/mol) | 317.21 |
| MDL Number | MFCD00012488 |
| SMILES | COC1=C(C=CC(=C1)C2=CC(=C(C=C2)N)OC)N.Cl.Cl |
| Synonym | 3,3'-dimethoxybenzidine dihydrochloride,o-dianisidine dihydrochloride,3,3'-dimethoxy-1,1'-biphenyl-4,4'-diamine dihydrochloride,unii-qv96qa6ukk,dianisidine dihydrochloride,ccris 998,o-dianisidine hcl,qv96qa6ukk,c.i. disperse black 6 dihydrochloride |
| IUPAC Name | 4-(4-amino-3-methoxyphenyl)-2-methoxyaniline;dihydrochloride |
| InChI Key | UXTIAFYTYOEQHV-UHFFFAOYSA-N |
| Molecular Formula | C14H18Cl2N2O2 |