Benzenoids
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2,6-Bis(di-tert-butylphosphinoxy)phenylchlorohydroiridium(III) 98.0+%, TCI America™
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CAS: 671789-61-0 Molecular Formula: C22H40ClIrO2P2 Molecular Weight (g/mol): 626.175 InChI Key: HELSKPCZFUCUCP-UHFFFAOYSA-M PubChem CID: 132274833 IUPAC Name: ditert-butyl-(3-ditert-butylphosphanyloxybenzene-2-id-1-yl)oxyphosphane;hydride;iridium(3+);chloride SMILES: [H-].CC(C)(C)P(C(C)(C)C)OC1=[C-]C(=CC=C1)OP(C(C)(C)C)C(C)(C)C.[Cl-].[Ir+3]
| PubChem CID | 132274833 |
|---|---|
| CAS | 671789-61-0 |
| Molecular Weight (g/mol) | 626.175 |
| SMILES | [H-].CC(C)(C)P(C(C)(C)C)OC1=[C-]C(=CC=C1)OP(C(C)(C)C)C(C)(C)C.[Cl-].[Ir+3] |
| IUPAC Name | ditert-butyl-(3-ditert-butylphosphanyloxybenzene-2-id-1-yl)oxyphosphane;hydride;iridium(3+);chloride |
| InChI Key | HELSKPCZFUCUCP-UHFFFAOYSA-M |
| Molecular Formula | C22H40ClIrO2P2 |
4-Isopropylbenzenethiol 94.0+%, TCI America™
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CAS: 4946-14-9 Molecular Formula: C9H11S Molecular Weight (g/mol): 151.25 MDL Number: MFCD00041505 InChI Key: APDUDRFJNCIWAG-UHFFFAOYSA-M Synonym: 4-isopropylthiophenol,4-isopropylbenzenethiol,4-isopropyl thiophenol,4-propan-2-yl benzene-1-thiol,benzenethiol, 4-1-methylethyl,4-1-methylethyl benzenethiol,p-cumyl mercaptan,pubchem6814,p-isopropyl thiophenol PubChem CID: 521251 IUPAC Name: [4-(propan-2-yl)phenyl]sulfanide SMILES: CC(C)C1=CC=C([S-])C=C1
| PubChem CID | 521251 |
|---|---|
| CAS | 4946-14-9 |
| Molecular Weight (g/mol) | 151.25 |
| MDL Number | MFCD00041505 |
| SMILES | CC(C)C1=CC=C([S-])C=C1 |
| Synonym | 4-isopropylthiophenol,4-isopropylbenzenethiol,4-isopropyl thiophenol,4-propan-2-yl benzene-1-thiol,benzenethiol, 4-1-methylethyl,4-1-methylethyl benzenethiol,p-cumyl mercaptan,pubchem6814,p-isopropyl thiophenol |
| IUPAC Name | [4-(propan-2-yl)phenyl]sulfanide |
| InChI Key | APDUDRFJNCIWAG-UHFFFAOYSA-M |
| Molecular Formula | C9H11S |
4-Chlorobenzamide 98.0+%, TCI America™
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CAS: 619-56-7 Molecular Formula: C7H6ClNO Molecular Weight (g/mol): 155.58 MDL Number: MFCD00007993 InChI Key: BLNVISNJTIRAHF-UHFFFAOYSA-N Synonym: p-chlorobenzamide,benzamide, 4-chloro,4-chloro-benzamide,p-chlorobenzoic acid amide,benzamide, p-chloro,unii-260cv6k0mr,benzamide, p-chloro-6ci,7ci,8ci,4-chloranylbenzamide,pubchem3619,4-chlorobenzenecarboxamide PubChem CID: 12084 IUPAC Name: 4-chlorobenzamide SMILES: NC(=O)C1=CC=C(Cl)C=C1
| PubChem CID | 12084 |
|---|---|
| CAS | 619-56-7 |
| Molecular Weight (g/mol) | 155.58 |
| MDL Number | MFCD00007993 |
| SMILES | NC(=O)C1=CC=C(Cl)C=C1 |
| Synonym | p-chlorobenzamide,benzamide, 4-chloro,4-chloro-benzamide,p-chlorobenzoic acid amide,benzamide, p-chloro,unii-260cv6k0mr,benzamide, p-chloro-6ci,7ci,8ci,4-chloranylbenzamide,pubchem3619,4-chlorobenzenecarboxamide |
| IUPAC Name | 4-chlorobenzamide |
| InChI Key | BLNVISNJTIRAHF-UHFFFAOYSA-N |
| Molecular Formula | C7H6ClNO |
Diphenyl N-Cyanocarbonimidate 97.0+%, TCI America™
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CAS: 79463-77-7 Molecular Formula: C14H10N2O2 Molecular Weight (g/mol): 238.25 MDL Number: MFCD00010380 InChI Key: SLIKWVTWIGHFJE-UHFFFAOYSA-N Synonym: diphenyl n-cyanocarbonimidate,diphenyl cyanocarbonimidate,diphenoxymethylenecyanamide,n-cyano-diphenyl imidocarbonate,diphenylcyanocarbonimidate,cyanocarbonimidia acid diphenyl aester,n-cyanocarbonimidic acid diphenyl ester,bis phenoxy methylidenecyanamide,cyano diphenoxymethylidene amine,3,3-diphenoxy-2-azaprop-2-enenitrile PubChem CID: 688090 IUPAC Name: cyano(diphenoxymethylidene)amine SMILES: N#CN=C(OC1=CC=CC=C1)OC1=CC=CC=C1
| PubChem CID | 688090 |
|---|---|
| CAS | 79463-77-7 |
| Molecular Weight (g/mol) | 238.25 |
| MDL Number | MFCD00010380 |
| SMILES | N#CN=C(OC1=CC=CC=C1)OC1=CC=CC=C1 |
| Synonym | diphenyl n-cyanocarbonimidate,diphenyl cyanocarbonimidate,diphenoxymethylenecyanamide,n-cyano-diphenyl imidocarbonate,diphenylcyanocarbonimidate,cyanocarbonimidia acid diphenyl aester,n-cyanocarbonimidic acid diphenyl ester,bis phenoxy methylidenecyanamide,cyano diphenoxymethylidene amine,3,3-diphenoxy-2-azaprop-2-enenitrile |
| IUPAC Name | cyano(diphenoxymethylidene)amine |
| InChI Key | SLIKWVTWIGHFJE-UHFFFAOYSA-N |
| Molecular Formula | C14H10N2O2 |
3-Bromobenzotrifluoride 99.0+%, TCI America™
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CAS: 401-78-5 Molecular Formula: C7H4BrF3 Molecular Weight (g/mol): 225.008 MDL Number: MFCD00000380 InChI Key: NNMBNYHMJRJUBC-UHFFFAOYSA-N Synonym: 3-bromobenzotrifluoride,1-bromo-3-trifluoromethyl benzene,m-bromobenzotrifluoride,3-trifluoromethyl bromobenzene,benzene, 1-bromo-3-trifluoromethyl,3-brombenzotrifluorid,3-bromotrifluoromethylbenzene,3-bromobenzyltrifluoride,3-trifluoromethyl phenyl bromide,m-trifluoromethyl bromobenzene PubChem CID: 9817 IUPAC Name: 1-bromo-3-(trifluoromethyl)benzene SMILES: C1=CC(=CC(=C1)Br)C(F)(F)F
| PubChem CID | 9817 |
|---|---|
| CAS | 401-78-5 |
| Molecular Weight (g/mol) | 225.008 |
| MDL Number | MFCD00000380 |
| SMILES | C1=CC(=CC(=C1)Br)C(F)(F)F |
| Synonym | 3-bromobenzotrifluoride,1-bromo-3-trifluoromethyl benzene,m-bromobenzotrifluoride,3-trifluoromethyl bromobenzene,benzene, 1-bromo-3-trifluoromethyl,3-brombenzotrifluorid,3-bromotrifluoromethylbenzene,3-bromobenzyltrifluoride,3-trifluoromethyl phenyl bromide,m-trifluoromethyl bromobenzene |
| IUPAC Name | 1-bromo-3-(trifluoromethyl)benzene |
| InChI Key | NNMBNYHMJRJUBC-UHFFFAOYSA-N |
| Molecular Formula | C7H4BrF3 |
4-Amino-3-nitrobenzophenone 98.0+%, TCI America™
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CAS: 31431-19-3 Molecular Formula: C13H10N2O3 Molecular Weight (g/mol): 242.23 MDL Number: MFCD00007154 InChI Key: NGOOFAMQPUEDJM-UHFFFAOYSA-N Synonym: 4-amino-3-nitrobenzophenone,4-amino-3-nitrophenyl phenyl methanone,4-amino-3-nitrophenyl phenylmethanone,4-amino-3-nitrophenyl-phenylmethanone,4-amino-3-nitrophenyl phenyl-methanone,4-benzoyl-2-nitroaniline,4-amino-3-nitrophenyl phenyl ketone,pubchem3292,acmc-1cmea,cambridge id 5181737 PubChem CID: 596970 IUPAC Name: 4-benzoyl-2-nitroaniline SMILES: NC1=CC=C(C=C1[N+]([O-])=O)C(=O)C1=CC=CC=C1
| PubChem CID | 596970 |
|---|---|
| CAS | 31431-19-3 |
| Molecular Weight (g/mol) | 242.23 |
| MDL Number | MFCD00007154 |
| SMILES | NC1=CC=C(C=C1[N+]([O-])=O)C(=O)C1=CC=CC=C1 |
| Synonym | 4-amino-3-nitrobenzophenone,4-amino-3-nitrophenyl phenyl methanone,4-amino-3-nitrophenyl phenylmethanone,4-amino-3-nitrophenyl-phenylmethanone,4-amino-3-nitrophenyl phenyl-methanone,4-benzoyl-2-nitroaniline,4-amino-3-nitrophenyl phenyl ketone,pubchem3292,acmc-1cmea,cambridge id 5181737 |
| IUPAC Name | 4-benzoyl-2-nitroaniline |
| InChI Key | NGOOFAMQPUEDJM-UHFFFAOYSA-N |
| Molecular Formula | C13H10N2O3 |
Isoeugenol (cis- and trans- mixture) 97.0+%, TCI America™
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CAS: 97-54-1 Molecular Formula: C10H12O2 Molecular Weight (g/mol): 164.20 MDL Number: MFCD00009285 InChI Key: BJIOGJUNALELMI-ONEGZZNKSA-N Synonym: isoeugenol,e-isoeugenol,trans-isoeugenol,2-methoxy-4-propenylphenol,4-propenylguaiacol,4-hydroxy-3-methoxy-1-propenylbenzene,2-methoxy-4-prop-1-en-1-yl phenol,trans-p-propenylquaiacol,isoeugenol trans-form,4-hydroxy-3-methoxypropenylbenzene PubChem CID: 853433 ChEBI: CHEBI:50545 IUPAC Name: 2-methoxy-4-[(1E)-prop-1-en-1-yl]phenol SMILES: COC1=CC(\C=C\C)=CC=C1O
| PubChem CID | 853433 |
|---|---|
| CAS | 97-54-1 |
| Molecular Weight (g/mol) | 164.20 |
| ChEBI | CHEBI:50545 |
| MDL Number | MFCD00009285 |
| SMILES | COC1=CC(\C=C\C)=CC=C1O |
| Synonym | isoeugenol,e-isoeugenol,trans-isoeugenol,2-methoxy-4-propenylphenol,4-propenylguaiacol,4-hydroxy-3-methoxy-1-propenylbenzene,2-methoxy-4-prop-1-en-1-yl phenol,trans-p-propenylquaiacol,isoeugenol trans-form,4-hydroxy-3-methoxypropenylbenzene |
| IUPAC Name | 2-methoxy-4-[(1E)-prop-1-en-1-yl]phenol |
| InChI Key | BJIOGJUNALELMI-ONEGZZNKSA-N |
| Molecular Formula | C10H12O2 |
3-Iodo-4-methylaniline 98.0+%, TCI America™
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CAS: 35944-64-0 Molecular Formula: C7H8IN Molecular Weight (g/mol): 233.05 MDL Number: MFCD00047843 InChI Key: RRUDMHNAMZFNEK-UHFFFAOYSA-N Synonym: 3-iodo-p-toluidine,benzenamine, 3-iodo-4-methyl,4-amino-2-iodotoluene,p-toluidine, 3-iodo,3-iodo-4-methyl-aniline,benzenamine, 3-iodo-4-methyl-9ci,3-iodo-4-methyl-phenylamine,pubchem3314,3-iodo-4-methyl aniline,acmc-209ik4 PubChem CID: 118889 IUPAC Name: 3-iodo-4-methylaniline SMILES: CC1=CC=C(N)C=C1I
| PubChem CID | 118889 |
|---|---|
| CAS | 35944-64-0 |
| Molecular Weight (g/mol) | 233.05 |
| MDL Number | MFCD00047843 |
| SMILES | CC1=CC=C(N)C=C1I |
| Synonym | 3-iodo-p-toluidine,benzenamine, 3-iodo-4-methyl,4-amino-2-iodotoluene,p-toluidine, 3-iodo,3-iodo-4-methyl-aniline,benzenamine, 3-iodo-4-methyl-9ci,3-iodo-4-methyl-phenylamine,pubchem3314,3-iodo-4-methyl aniline,acmc-209ik4 |
| IUPAC Name | 3-iodo-4-methylaniline |
| InChI Key | RRUDMHNAMZFNEK-UHFFFAOYSA-N |
| Molecular Formula | C7H8IN |
2-Amino-3,4-dimethylbenzoic Acid 98.0+%, TCI America™
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CAS: 50419-58-4 Molecular Formula: C9H11NO2 Molecular Weight (g/mol): 165.19 MDL Number: MFCD00130041 InChI Key: MUOBMUYSNYMSDM-UHFFFAOYSA-N Synonym: 2-amino-3,4-dimethyl-benzoic acid,3,4-dimethylanthranilic acid,benzoic acid, 2-amino-3,4-dimethyl,pubchem4683,acmc-1aomr,ksc272a3h,2-amino-3,4-dimethyl benzoic acid PubChem CID: 282450 IUPAC Name: 2-amino-3,4-dimethylbenzoic acid SMILES: CC1=CC=C(C(O)=O)C(N)=C1C
| PubChem CID | 282450 |
|---|---|
| CAS | 50419-58-4 |
| Molecular Weight (g/mol) | 165.19 |
| MDL Number | MFCD00130041 |
| SMILES | CC1=CC=C(C(O)=O)C(N)=C1C |
| Synonym | 2-amino-3,4-dimethyl-benzoic acid,3,4-dimethylanthranilic acid,benzoic acid, 2-amino-3,4-dimethyl,pubchem4683,acmc-1aomr,ksc272a3h,2-amino-3,4-dimethyl benzoic acid |
| IUPAC Name | 2-amino-3,4-dimethylbenzoic acid |
| InChI Key | MUOBMUYSNYMSDM-UHFFFAOYSA-N |
| Molecular Formula | C9H11NO2 |
2,2'-Sulfonylbis(4-tert-octylphenol) 96.0+%, TCI America™
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CAS: 15452-89-8 Molecular Formula: C28H42O4S Molecular Weight (g/mol): 474.7 MDL Number: MFCD00026328 InChI Key: LMTGYJHIOQZSAA-UHFFFAOYSA-N Synonym: Bis(2-hydroxy-5-tert-octylphenyl) Sulfone, Bis[2-hydroxy-5-(1,1,3,3-tetramethylbutyl)phenyl] Sulfone PubChem CID: 84923 IUPAC Name: 2-[2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]sulfonyl-4-(2,4,4-trimethylpentan-2-yl)phenol SMILES: CC(C)(C)CC(C)(C)C1=CC(=C(C=C1)O)S(=O)(=O)C2=C(C=CC(=C2)C(C)(C)CC(C)(C)C)O
| PubChem CID | 84923 |
|---|---|
| CAS | 15452-89-8 |
| Molecular Weight (g/mol) | 474.7 |
| MDL Number | MFCD00026328 |
| SMILES | CC(C)(C)CC(C)(C)C1=CC(=C(C=C1)O)S(=O)(=O)C2=C(C=CC(=C2)C(C)(C)CC(C)(C)C)O |
| Synonym | Bis(2-hydroxy-5-tert-octylphenyl) Sulfone, Bis[2-hydroxy-5-(1,1,3,3-tetramethylbutyl)phenyl] Sulfone |
| IUPAC Name | 2-[2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]sulfonyl-4-(2,4,4-trimethylpentan-2-yl)phenol |
| InChI Key | LMTGYJHIOQZSAA-UHFFFAOYSA-N |
| Molecular Formula | C28H42O4S |
3-Bromo-4-methylbenzoic Acid 98.0+%, TCI America™
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CAS: 7697-26-9 Molecular Formula: C8H7BrO2 Molecular Weight (g/mol): 215.05 MDL Number: MFCD00002488 InChI Key: ZFJOMUKPDWNRFI-UHFFFAOYSA-N Synonym: 3-bromo-4-methylbenzoicacid,3-bromo-p-toluic acid,benzoic acid, 3-bromo-4-methyl,3-bromo-4-methyl-benzoic acid,bromo-p-toluic acid,pubchem3806,bromo-para-toluic acid,3-bromo4-methylbenzoic acid,acmc-1bg95,akos bbb/219 PubChem CID: 82130 IUPAC Name: 3-bromo-4-methylbenzoic acid SMILES: CC1=CC=C(C=C1Br)C(O)=O
| PubChem CID | 82130 |
|---|---|
| CAS | 7697-26-9 |
| Molecular Weight (g/mol) | 215.05 |
| MDL Number | MFCD00002488 |
| SMILES | CC1=CC=C(C=C1Br)C(O)=O |
| Synonym | 3-bromo-4-methylbenzoicacid,3-bromo-p-toluic acid,benzoic acid, 3-bromo-4-methyl,3-bromo-4-methyl-benzoic acid,bromo-p-toluic acid,pubchem3806,bromo-para-toluic acid,3-bromo4-methylbenzoic acid,acmc-1bg95,akos bbb/219 |
| IUPAC Name | 3-bromo-4-methylbenzoic acid |
| InChI Key | ZFJOMUKPDWNRFI-UHFFFAOYSA-N |
| Molecular Formula | C8H7BrO2 |
alpha-Chloro-p-xylene 98.0+%, TCI America™
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CAS: 104-82-5 Molecular Formula: C8H9Cl Molecular Weight (g/mol): 140.61 MDL Number: MFCD00000919 InChI Key: DMHZDOTYAVHSEH-UHFFFAOYSA-N Synonym: 4-methylbenzyl chloride,p-xylyl chloride,1-chloromethyl-4-methylbenzene,alpha-chloro-p-xylene,p-methylbenzyl chloride,benzene, 1-chloromethyl-4-methyl,p-chloromethyl toluene,4-chloromethyl toluene,p-tolylmethyl chloride,p-xylene, alpha-chloro PubChem CID: 7722 IUPAC Name: 1-(chloromethyl)-4-methylbenzene SMILES: CC1=CC=C(C=C1)CCl
| PubChem CID | 7722 |
|---|---|
| CAS | 104-82-5 |
| Molecular Weight (g/mol) | 140.61 |
| MDL Number | MFCD00000919 |
| SMILES | CC1=CC=C(C=C1)CCl |
| Synonym | 4-methylbenzyl chloride,p-xylyl chloride,1-chloromethyl-4-methylbenzene,alpha-chloro-p-xylene,p-methylbenzyl chloride,benzene, 1-chloromethyl-4-methyl,p-chloromethyl toluene,4-chloromethyl toluene,p-tolylmethyl chloride,p-xylene, alpha-chloro |
| IUPAC Name | 1-(chloromethyl)-4-methylbenzene |
| InChI Key | DMHZDOTYAVHSEH-UHFFFAOYSA-N |
| Molecular Formula | C8H9Cl |
Phenoxyacetic Anhydride 98.0+%, TCI America™
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CAS: 14316-61-1 Molecular Formula: C16H14O5 Molecular Weight (g/mol): 286.283 MDL Number: MFCD00059681 InChI Key: CCSBNBKMACZDGN-UHFFFAOYSA-N PubChem CID: 318938 IUPAC Name: (2-phenoxyacetyl) 2-phenoxyacetate SMILES: C1=CC=C(C=C1)OCC(=O)OC(=O)COC2=CC=CC=C2
| PubChem CID | 318938 |
|---|---|
| CAS | 14316-61-1 |
| Molecular Weight (g/mol) | 286.283 |
| MDL Number | MFCD00059681 |
| SMILES | C1=CC=C(C=C1)OCC(=O)OC(=O)COC2=CC=CC=C2 |
| IUPAC Name | (2-phenoxyacetyl) 2-phenoxyacetate |
| InChI Key | CCSBNBKMACZDGN-UHFFFAOYSA-N |
| Molecular Formula | C16H14O5 |
Lumefantrine 98.0+%, TCI America™
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CAS: 82186-77-4 Molecular Formula: C30H32Cl3NO Molecular Weight (g/mol): 528.94 MDL Number: MFCD05662268 InChI Key: DYLGFOYVTXJFJP-MYYYXRDXNA-N Synonym: Benflumetol, (9Z)-2,7-Dichloro-9-[(4-chlorophenyl)methylene]-alpha-[(dibutylamino)methyl]-9H-fluoren-4-methanol PubChem CID: 6437380 ChEBI: CHEBI:156095 IUPAC Name: 2-(dibutylamino)-1-[(9Z)-2,7-dichloro-9-[(4-chlorophenyl)methylidene]-9H-fluoren-4-yl]ethan-1-ol SMILES: CCCCN(CCCC)CC(O)C1=CC(Cl)=CC2=C1C1=CC=C(Cl)C=C1\C2=C\C1=CC=C(Cl)C=C1
| PubChem CID | 6437380 |
|---|---|
| CAS | 82186-77-4 |
| Molecular Weight (g/mol) | 528.94 |
| ChEBI | CHEBI:156095 |
| MDL Number | MFCD05662268 |
| SMILES | CCCCN(CCCC)CC(O)C1=CC(Cl)=CC2=C1C1=CC=C(Cl)C=C1\C2=C\C1=CC=C(Cl)C=C1 |
| Synonym | Benflumetol, (9Z)-2,7-Dichloro-9-[(4-chlorophenyl)methylene]-alpha-[(dibutylamino)methyl]-9H-fluoren-4-methanol |
| IUPAC Name | 2-(dibutylamino)-1-[(9Z)-2,7-dichloro-9-[(4-chlorophenyl)methylidene]-9H-fluoren-4-yl]ethan-1-ol |
| InChI Key | DYLGFOYVTXJFJP-MYYYXRDXNA-N |
| Molecular Formula | C30H32Cl3NO |
1,3-Dibromo-5-nitrobenzene 98.0+%, TCI America™
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CAS: 6311-60-0 Molecular Formula: C6H3Br2NO2 Molecular Weight (g/mol): 280.903 MDL Number: MFCD00092529 InChI Key: ZWBHGBWABMAWOV-UHFFFAOYSA-N Synonym: 3,5-Dibromonitrobenzene PubChem CID: 238711 IUPAC Name: 1,3-dibromo-5-nitrobenzene SMILES: C1=C(C=C(C=C1Br)Br)[N+](=O)[O-]
| PubChem CID | 238711 |
|---|---|
| CAS | 6311-60-0 |
| Molecular Weight (g/mol) | 280.903 |
| MDL Number | MFCD00092529 |
| SMILES | C1=C(C=C(C=C1Br)Br)[N+](=O)[O-] |
| Synonym | 3,5-Dibromonitrobenzene |
| IUPAC Name | 1,3-dibromo-5-nitrobenzene |
| InChI Key | ZWBHGBWABMAWOV-UHFFFAOYSA-N |
| Molecular Formula | C6H3Br2NO2 |