Benzenoids
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3,5-Dihydroxybenzyl alcohol, 98%
CAS: 29654-55-5 Molecular Formula: C7H8O3 Molecular Weight (g/mol): 140.14 MDL Number: MFCD00016867 InChI Key: NGYYFWGABVVEPL-UHFFFAOYSA-N Synonym: 3,5-dihydroxybenzyl alcohol,5-hydroxymethyl-1,3-benzenediol,5-hydroxymethyl benzene-1,3-diol,5-hydroxymethyl resorcinol,benzyl alcohol, 3,5-dihydroxy,1,3-benzenediol, 5-hydroxymethyl,3,5-dihydroxybenzylalcohol,3,5-dihydroxy benzyl alcohol,pubchem7418,acmc-1cjog PubChem CID: 34661 IUPAC Name: 5-(hydroxymethyl)benzene-1,3-diol SMILES: C1=C(C=C(C=C1O)O)CO
| PubChem CID | 34661 |
|---|---|
| CAS | 29654-55-5 |
| Molecular Weight (g/mol) | 140.14 |
| MDL Number | MFCD00016867 |
| SMILES | C1=C(C=C(C=C1O)O)CO |
| Synonym | 3,5-dihydroxybenzyl alcohol,5-hydroxymethyl-1,3-benzenediol,5-hydroxymethyl benzene-1,3-diol,5-hydroxymethyl resorcinol,benzyl alcohol, 3,5-dihydroxy,1,3-benzenediol, 5-hydroxymethyl,3,5-dihydroxybenzylalcohol,3,5-dihydroxy benzyl alcohol,pubchem7418,acmc-1cjog |
| IUPAC Name | 5-(hydroxymethyl)benzene-1,3-diol |
| InChI Key | NGYYFWGABVVEPL-UHFFFAOYSA-N |
| Molecular Formula | C7H8O3 |
2,6-Dichlorobenzamide, 98%
CAS: 2008-58-4 Molecular Formula: C7H5Cl2NO Molecular Weight (g/mol): 190.023 MDL Number: MFCD00007975 InChI Key: JHSPCUHPSIUQRB-UHFFFAOYSA-N Synonym: benzamide, 2,6-dichloro,2,6-bam,unii-e9jwf529eb,2,6-dichlorobenzoic acid amide,bam,e9jwf529eb,benzamide,6-dichloro,dsstox_cid_2170,acmc-209f5j,dsstox_rid_76511 PubChem CID: 16183 ChEBI: CHEBI:28435 IUPAC Name: 2,6-dichlorobenzamide SMILES: C1=CC(=C(C(=C1)Cl)C(=O)N)Cl
| PubChem CID | 16183 |
|---|---|
| CAS | 2008-58-4 |
| Molecular Weight (g/mol) | 190.023 |
| ChEBI | CHEBI:28435 |
| MDL Number | MFCD00007975 |
| SMILES | C1=CC(=C(C(=C1)Cl)C(=O)N)Cl |
| Synonym | benzamide, 2,6-dichloro,2,6-bam,unii-e9jwf529eb,2,6-dichlorobenzoic acid amide,bam,e9jwf529eb,benzamide,6-dichloro,dsstox_cid_2170,acmc-209f5j,dsstox_rid_76511 |
| IUPAC Name | 2,6-dichlorobenzamide |
| InChI Key | JHSPCUHPSIUQRB-UHFFFAOYSA-N |
| Molecular Formula | C7H5Cl2NO |
2-(3,4-Dimethoxyphenyl)ethanol, 98%
CAS: 7417-21-2 Molecular Formula: C10H14O3 Molecular Weight (g/mol): 182.22 MDL Number: MFCD00002894 InChI Key: SRQAJMUHZROVHW-UHFFFAOYSA-N Synonym: 3,4-dimethoxyphenethyl alcohol,2-3,4-dimethoxyphenyl ethanol,3,4-dimethoxyphenethylalcohol,2-3,4-dimethoxyphenyl ethan-1-ol,3,4-dimethoxyphenethanol,homoveratryl alcohol,benzeneethanol, 3,4-dimethoxy,3,4-dimethoxybenzeneethanol,3,4-dimethoxy-.beta.-phenethyl alcohol,1-2-hydroxyethyl-3,4-dimethoxybenzene PubChem CID: 81911 SMILES: COC1=CC=C(CCO)C=C1OC
| PubChem CID | 81911 |
|---|---|
| CAS | 7417-21-2 |
| Molecular Weight (g/mol) | 182.22 |
| MDL Number | MFCD00002894 |
| SMILES | COC1=CC=C(CCO)C=C1OC |
| Synonym | 3,4-dimethoxyphenethyl alcohol,2-3,4-dimethoxyphenyl ethanol,3,4-dimethoxyphenethylalcohol,2-3,4-dimethoxyphenyl ethan-1-ol,3,4-dimethoxyphenethanol,homoveratryl alcohol,benzeneethanol, 3,4-dimethoxy,3,4-dimethoxybenzeneethanol,3,4-dimethoxy-.beta.-phenethyl alcohol,1-2-hydroxyethyl-3,4-dimethoxybenzene |
| InChI Key | SRQAJMUHZROVHW-UHFFFAOYSA-N |
| Molecular Formula | C10H14O3 |
Metoprolol tartrate, 98+%
CAS: 56392-17-7 Molecular Formula: C34H56N2O12 Molecular Weight (g/mol): 684.824 MDL Number: MFCD00056257 InChI Key: YGULWPYYGQCFMP-NPHUUBOGSA-N Synonym: y-metoprolol +-tartrate,?-metoprolol +-tartrate,--tartaric acid; bis metoprolol,1-isopropylamino-3-p-beta-methoxyethyl phenoxy-2-propanol +-tartrate salt,1-isopropylamino-3-4-2-methoxyethyl phenoxy propan-2-ol 2,3-dihydroxysuccinate 2 PubChem CID: 11957594 IUPAC Name: (2R,3S)-2,3-dihydroxybutanedioic acid;1-[4-(2-methoxyethyl)phenoxy]-3-(propan-2-ylamino)propan-2-ol SMILES: CC(C)NCC(COC1=CC=C(C=C1)CCOC)O.CC(C)NCC(COC1=CC=C(C=C1)CCOC)O.C(C(C(=O)O)O)(C(=O)O)O
| PubChem CID | 11957594 |
|---|---|
| CAS | 56392-17-7 |
| Molecular Weight (g/mol) | 684.824 |
| MDL Number | MFCD00056257 |
| SMILES | CC(C)NCC(COC1=CC=C(C=C1)CCOC)O.CC(C)NCC(COC1=CC=C(C=C1)CCOC)O.C(C(C(=O)O)O)(C(=O)O)O |
| Synonym | y-metoprolol +-tartrate,?-metoprolol +-tartrate,--tartaric acid; bis metoprolol,1-isopropylamino-3-p-beta-methoxyethyl phenoxy-2-propanol +-tartrate salt,1-isopropylamino-3-4-2-methoxyethyl phenoxy propan-2-ol 2,3-dihydroxysuccinate 2 |
| IUPAC Name | (2R,3S)-2,3-dihydroxybutanedioic acid;1-[4-(2-methoxyethyl)phenoxy]-3-(propan-2-ylamino)propan-2-ol |
| InChI Key | YGULWPYYGQCFMP-NPHUUBOGSA-N |
| Molecular Formula | C34H56N2O12 |
3-Methoxyphenyl isocyanate, 99%
CAS: 18908-07-1 Molecular Formula: C8H7NO2 Molecular Weight (g/mol): 149.149 MDL Number: MFCD00002019 InChI Key: NPOVTGVGOBJZPY-UHFFFAOYSA-N Synonym: 3-methoxyphenyl isocyanate,benzene, 1-isocyanato-3-methoxy,isocyanic acid 3-methoxyphenyl ester,3-isocyanatoanisole,3-methoxyphenylisocyanate,m-methoxyphenyl isocyanate,1-isocyanato-3-methoxy-benzene,3-methoxybenzenisocyanate,m-anisyl isocyanate,m-methoxyphenylisocyanate PubChem CID: 87843 IUPAC Name: 1-isocyanato-3-methoxybenzene SMILES: COC1=CC=CC(=C1)N=C=O
| PubChem CID | 87843 |
|---|---|
| CAS | 18908-07-1 |
| Molecular Weight (g/mol) | 149.149 |
| MDL Number | MFCD00002019 |
| SMILES | COC1=CC=CC(=C1)N=C=O |
| Synonym | 3-methoxyphenyl isocyanate,benzene, 1-isocyanato-3-methoxy,isocyanic acid 3-methoxyphenyl ester,3-isocyanatoanisole,3-methoxyphenylisocyanate,m-methoxyphenyl isocyanate,1-isocyanato-3-methoxy-benzene,3-methoxybenzenisocyanate,m-anisyl isocyanate,m-methoxyphenylisocyanate |
| IUPAC Name | 1-isocyanato-3-methoxybenzene |
| InChI Key | NPOVTGVGOBJZPY-UHFFFAOYSA-N |
| Molecular Formula | C8H7NO2 |
3-Methoxy-N,N-dimethylaniline, 98%, Thermo Scientific Chemicals
CAS: 15799-79-8 Molecular Formula: C9H13NO Molecular Weight (g/mol): 151.209 MDL Number: MFCD00051779 InChI Key: MOYHVSKDHLMMPS-UHFFFAOYSA-N Synonym: 3-dimethylaminoanisole,n,n-dimethyl-m-anisidine,3-methoxy-n,n-dimethylbenzenamine,3-methoxyphenyl dimethylamine,3-dimethylamino-anisole,acmc-1c3gj,m-methoxy-n,n-dimethylanilin,n,n-dimethyl-3-methoxyaniline,n1,n1-dimethyl-3-methoxyaniline,3-methoxy-n,n-dimethylbenzeneamine PubChem CID: 139977 IUPAC Name: 3-methoxy-N,N-dimethylaniline SMILES: CN(C)C1=CC(=CC=C1)OC
| PubChem CID | 139977 |
|---|---|
| CAS | 15799-79-8 |
| Molecular Weight (g/mol) | 151.209 |
| MDL Number | MFCD00051779 |
| SMILES | CN(C)C1=CC(=CC=C1)OC |
| Synonym | 3-dimethylaminoanisole,n,n-dimethyl-m-anisidine,3-methoxy-n,n-dimethylbenzenamine,3-methoxyphenyl dimethylamine,3-dimethylamino-anisole,acmc-1c3gj,m-methoxy-n,n-dimethylanilin,n,n-dimethyl-3-methoxyaniline,n1,n1-dimethyl-3-methoxyaniline,3-methoxy-n,n-dimethylbenzeneamine |
| IUPAC Name | 3-methoxy-N,N-dimethylaniline |
| InChI Key | MOYHVSKDHLMMPS-UHFFFAOYSA-N |
| Molecular Formula | C9H13NO |
4-Dimethylamino-2-methoxybenzaldehyde, 98%
CAS: 84562-48-1 Molecular Formula: C10H13NO2 Molecular Weight (g/mol): 179.219 MDL Number: MFCD00151814 InChI Key: HGDRXADJVGVGBC-UHFFFAOYSA-N PubChem CID: 291350 IUPAC Name: 4-(dimethylamino)-2-methoxybenzaldehyde SMILES: CN(C)C1=CC(=C(C=C1)C=O)OC
| PubChem CID | 291350 |
|---|---|
| CAS | 84562-48-1 |
| Molecular Weight (g/mol) | 179.219 |
| MDL Number | MFCD00151814 |
| SMILES | CN(C)C1=CC(=C(C=C1)C=O)OC |
| IUPAC Name | 4-(dimethylamino)-2-methoxybenzaldehyde |
| InChI Key | HGDRXADJVGVGBC-UHFFFAOYSA-N |
| Molecular Formula | C10H13NO2 |
3-Methoxy-o-phenylenediamine, 97%
CAS: 37466-89-0 Molecular Formula: C7H10N2O Molecular Weight (g/mol): 138.17 MDL Number: MFCD08276903 InChI Key: BFLWXPJTAKXXKT-UHFFFAOYSA-N Synonym: 2,3-diaminoanisole,2,3-diaminoanisol,diaminoanisole,3-methoxy-benzene-1,2-diamine,3-methoxy-1,2-phenylenediamine,1,2-benzenediamine, 3-methoxy,3-methoxy-o-phenylenediamine,3-methoxy-1,2-benzenediamine,ambkkkkk251,2-amino-3-methoxyaniline PubChem CID: 184268 IUPAC Name: 3-methoxybenzene-1,2-diamine SMILES: COC1=CC=CC(=C1N)N
| PubChem CID | 184268 |
|---|---|
| CAS | 37466-89-0 |
| Molecular Weight (g/mol) | 138.17 |
| MDL Number | MFCD08276903 |
| SMILES | COC1=CC=CC(=C1N)N |
| Synonym | 2,3-diaminoanisole,2,3-diaminoanisol,diaminoanisole,3-methoxy-benzene-1,2-diamine,3-methoxy-1,2-phenylenediamine,1,2-benzenediamine, 3-methoxy,3-methoxy-o-phenylenediamine,3-methoxy-1,2-benzenediamine,ambkkkkk251,2-amino-3-methoxyaniline |
| IUPAC Name | 3-methoxybenzene-1,2-diamine |
| InChI Key | BFLWXPJTAKXXKT-UHFFFAOYSA-N |
| Molecular Formula | C7H10N2O |
2-Methoxy-5-methylphenyl isocyanate, 97%
CAS: 59741-04-7 Molecular Formula: C9H9NO2 Molecular Weight (g/mol): 163.176 MDL Number: MFCD00013869 InChI Key: IDOHLSFNBKNRRJ-UHFFFAOYSA-N Synonym: 2-methoxy-5-methylphenyl isocyanate,2-methoxy-5-methylphenylisocyanate,2-isocyanato-1-methoxy-4-methyl-benzene,benzene, 2-isocyanato-1-methoxy-4-methyl,acmc-20anrw,2-methoxy-5-methylbenzenisocyanate,2-methoxy-5-methylpheny lisocyanate,2-isocyanato-1-methyloxy-4-methylbenzene,benzene, 2-isocyanato-1-methoxy-4-methyl-9ci PubChem CID: 4141520 IUPAC Name: 2-isocyanato-1-methoxy-4-methylbenzene SMILES: CC1=CC(=C(C=C1)OC)N=C=O
| PubChem CID | 4141520 |
|---|---|
| CAS | 59741-04-7 |
| Molecular Weight (g/mol) | 163.176 |
| MDL Number | MFCD00013869 |
| SMILES | CC1=CC(=C(C=C1)OC)N=C=O |
| Synonym | 2-methoxy-5-methylphenyl isocyanate,2-methoxy-5-methylphenylisocyanate,2-isocyanato-1-methoxy-4-methyl-benzene,benzene, 2-isocyanato-1-methoxy-4-methyl,acmc-20anrw,2-methoxy-5-methylbenzenisocyanate,2-methoxy-5-methylpheny lisocyanate,2-isocyanato-1-methyloxy-4-methylbenzene,benzene, 2-isocyanato-1-methoxy-4-methyl-9ci |
| IUPAC Name | 2-isocyanato-1-methoxy-4-methylbenzene |
| InChI Key | IDOHLSFNBKNRRJ-UHFFFAOYSA-N |
| Molecular Formula | C9H9NO2 |
N-alpha-(2,4-Dinitro-5-fluorophenyl)-L-alaninamide, 98%
CAS: 95713-52-3 Molecular Formula: C9H9FN4O5 Molecular Weight (g/mol): 272.19 MDL Number: MFCD00042049 InChI Key: NEPLBHLFDJOJGP-BYPYZUCNSA-N Synonym: marfey's reagent,s-2-5-fluoro-2,4-dinitrophenyl amino propanamide,2s-2-5-fluoro-2,4-dinitrophenyl amino propanamide,n-2,4-dinitro-5-fluorophenyl-l-alaninamide,2s-2-5-fluoro-2,4-dinitroanilino propanamide,propanamide, 2-5-fluoro-2,4-dinitrophenyl amino-, 2s,nalpha-2,4-dinitro-5-fluorophenyl-l-alaninamide,n-alpha-2,4-dinitro-5-fluorophenyl-l-alaninamide,fdaa,1-fd-aa PubChem CID: 5486955 IUPAC Name: (2S)-2-(5-fluoro-2,4-dinitroanilino)propanamide SMILES: C[C@H](NC1=CC(F)=C(C=C1[N+]([O-])=O)[N+]([O-])=O)C(N)=O
| PubChem CID | 5486955 |
|---|---|
| CAS | 95713-52-3 |
| Molecular Weight (g/mol) | 272.19 |
| MDL Number | MFCD00042049 |
| SMILES | C[C@H](NC1=CC(F)=C(C=C1[N+]([O-])=O)[N+]([O-])=O)C(N)=O |
| Synonym | marfey's reagent,s-2-5-fluoro-2,4-dinitrophenyl amino propanamide,2s-2-5-fluoro-2,4-dinitrophenyl amino propanamide,n-2,4-dinitro-5-fluorophenyl-l-alaninamide,2s-2-5-fluoro-2,4-dinitroanilino propanamide,propanamide, 2-5-fluoro-2,4-dinitrophenyl amino-, 2s,nalpha-2,4-dinitro-5-fluorophenyl-l-alaninamide,n-alpha-2,4-dinitro-5-fluorophenyl-l-alaninamide,fdaa,1-fd-aa |
| IUPAC Name | (2S)-2-(5-fluoro-2,4-dinitroanilino)propanamide |
| InChI Key | NEPLBHLFDJOJGP-BYPYZUCNSA-N |
| Molecular Formula | C9H9FN4O5 |
2,6-Dibromoaniline, 97%, Thermo Scientific Chemicals
CAS: 608-30-0 Molecular Formula: C6H5Br2N Molecular Weight (g/mol): 250.92 MDL Number: MFCD00007638 InChI Key: XIRRDAWDNHRRLB-UHFFFAOYSA-N Synonym: benzenamine, 2,6-dibromo,2,6-dibromophenylamine,2,6-dibromobenzenamine,aniline, 2,6-dibromo,2,6-dibromo-phenylamine,2,6-dibromo-aniline,acmc-1aycf,2,6-dibromoaniline,2,6-dibromo-phenyl-amine,ksc356c3l PubChem CID: 69098 IUPAC Name: 2,6-dibromoaniline SMILES: NC1=C(Br)C=CC=C1Br
| PubChem CID | 69098 |
|---|---|
| CAS | 608-30-0 |
| Molecular Weight (g/mol) | 250.92 |
| MDL Number | MFCD00007638 |
| SMILES | NC1=C(Br)C=CC=C1Br |
| Synonym | benzenamine, 2,6-dibromo,2,6-dibromophenylamine,2,6-dibromobenzenamine,aniline, 2,6-dibromo,2,6-dibromo-phenylamine,2,6-dibromo-aniline,acmc-1aycf,2,6-dibromoaniline,2,6-dibromo-phenyl-amine,ksc356c3l |
| IUPAC Name | 2,6-dibromoaniline |
| InChI Key | XIRRDAWDNHRRLB-UHFFFAOYSA-N |
| Molecular Formula | C6H5Br2N |
3,5-Dimethoxyaniline, 98%
CAS: 10272-07-8 Molecular Formula: C8H11NO2 Molecular Weight (g/mol): 153.18 MDL Number: MFCD00008392 InChI Key: WNRGWPVJGDABME-UHFFFAOYSA-N Synonym: benzenamine, 3,5-dimethoxy,3,5-dimethoxybenzeneamine,5-aminoresorcinol dimethyl ether,3,5-dimethoxy-phenylamine,3,5-dimethoxyanaline,3,5-dimethoxy aniline,5-aminoresorcinol dimethylether,3,5-dimethoxybenzenamine,3,5-dimethoxyphenylamine,pubchem4423 PubChem CID: 66301 IUPAC Name: 3,5-dimethoxyaniline SMILES: COC1=CC(OC)=CC(N)=C1
| PubChem CID | 66301 |
|---|---|
| CAS | 10272-07-8 |
| Molecular Weight (g/mol) | 153.18 |
| MDL Number | MFCD00008392 |
| SMILES | COC1=CC(OC)=CC(N)=C1 |
| Synonym | benzenamine, 3,5-dimethoxy,3,5-dimethoxybenzeneamine,5-aminoresorcinol dimethyl ether,3,5-dimethoxy-phenylamine,3,5-dimethoxyanaline,3,5-dimethoxy aniline,5-aminoresorcinol dimethylether,3,5-dimethoxybenzenamine,3,5-dimethoxyphenylamine,pubchem4423 |
| IUPAC Name | 3,5-dimethoxyaniline |
| InChI Key | WNRGWPVJGDABME-UHFFFAOYSA-N |
| Molecular Formula | C8H11NO2 |
4-Methoxybenzenediazonium tetrafluoroborate, 98%
CAS: 459-64-3 Molecular Formula: C7H7BF4N2O Molecular Weight (g/mol): 221.95 MDL Number: MFCD00011897 InChI Key: CACFTKIREZJSIG-UHFFFAOYSA-J Synonym: 4-methoxybenzenediazonium tetrafluoroborate,4-methoxybenzenediazoniumfluoroborate,4-methoxybenzene diazonium fluoroborate,acmc-1aeuk,ksc236e8f,4-methoxyphenyldiazonium tetrafluoroborate,p-methoxybenzenediazonium tetrafluoroborate,4-methoxybenzene-1-diazonium; tetrafluoroboranuide PubChem CID: 517233 SMILES: [B+3].[F-].[F-].[F-].[F-].COC1=CC=C(C=C1)[N+]#N
| PubChem CID | 517233 |
|---|---|
| CAS | 459-64-3 |
| Molecular Weight (g/mol) | 221.95 |
| MDL Number | MFCD00011897 |
| SMILES | [B+3].[F-].[F-].[F-].[F-].COC1=CC=C(C=C1)[N+]#N |
| Synonym | 4-methoxybenzenediazonium tetrafluoroborate,4-methoxybenzenediazoniumfluoroborate,4-methoxybenzene diazonium fluoroborate,acmc-1aeuk,ksc236e8f,4-methoxyphenyldiazonium tetrafluoroborate,p-methoxybenzenediazonium tetrafluoroborate,4-methoxybenzene-1-diazonium; tetrafluoroboranuide |
| InChI Key | CACFTKIREZJSIG-UHFFFAOYSA-J |
| Molecular Formula | C7H7BF4N2O |
3-Fluoro-4-methoxyaniline, 99%
CAS: 366-99-4 Molecular Formula: C7H8FNO Molecular Weight (g/mol): 141.15 MDL Number: MFCD00075040 InChI Key: LJWAPDSCYTZUJU-UHFFFAOYSA-N Synonym: 3-fluoro-4-anisidine,4-amino-2-fluoroanisole,3-fluoro-p-anisidine,3-fluoro-4-methoxy-phenylamine,benzenamine, 3-fluoro-4-methoxy,3-fluoro-4-methoxy-aniline,3-fluoro-4-methoxyphenylamine,2-fluoro-4-aminoanisole,3-fluoro-4-methoxy-anilin,3-fluoro-4-methoxy-benzenamine PubChem CID: 581110 IUPAC Name: 3-fluoro-4-methoxyaniline SMILES: COC1=C(C=C(C=C1)N)F
| PubChem CID | 581110 |
|---|---|
| CAS | 366-99-4 |
| Molecular Weight (g/mol) | 141.15 |
| MDL Number | MFCD00075040 |
| SMILES | COC1=C(C=C(C=C1)N)F |
| Synonym | 3-fluoro-4-anisidine,4-amino-2-fluoroanisole,3-fluoro-p-anisidine,3-fluoro-4-methoxy-phenylamine,benzenamine, 3-fluoro-4-methoxy,3-fluoro-4-methoxy-aniline,3-fluoro-4-methoxyphenylamine,2-fluoro-4-aminoanisole,3-fluoro-4-methoxy-anilin,3-fluoro-4-methoxy-benzenamine |
| IUPAC Name | 3-fluoro-4-methoxyaniline |
| InChI Key | LJWAPDSCYTZUJU-UHFFFAOYSA-N |
| Molecular Formula | C7H8FNO |
2-Bromo-5-nitroaniline, 98%
CAS: 10403-47-1 Molecular Formula: C6H5BrN2O2 Molecular Weight (g/mol): 217.02 MDL Number: MFCD00051578 InChI Key: BAAUCXCLMDAZEL-UHFFFAOYSA-N Synonym: benzenamine, 2-bromo-5-nitro,2-bromo-5-nitrobenzenamine,3-amino-4-bromonitrobenzene,2-bromo-5-nitro-phenylamine,2-bromo-5-nitrophenylamine,pubchem21903,2-bromo 5-nitroaniline,2-bromo-5-nitro-aniline,2-bromo-5-nitro aniline,acmc-2098ai PubChem CID: 82607 IUPAC Name: 2-bromo-5-nitroaniline SMILES: C1=CC(=C(C=C1[N+](=O)[O-])N)Br
| PubChem CID | 82607 |
|---|---|
| CAS | 10403-47-1 |
| Molecular Weight (g/mol) | 217.02 |
| MDL Number | MFCD00051578 |
| SMILES | C1=CC(=C(C=C1[N+](=O)[O-])N)Br |
| Synonym | benzenamine, 2-bromo-5-nitro,2-bromo-5-nitrobenzenamine,3-amino-4-bromonitrobenzene,2-bromo-5-nitro-phenylamine,2-bromo-5-nitrophenylamine,pubchem21903,2-bromo 5-nitroaniline,2-bromo-5-nitro-aniline,2-bromo-5-nitro aniline,acmc-2098ai |
| IUPAC Name | 2-bromo-5-nitroaniline |
| InChI Key | BAAUCXCLMDAZEL-UHFFFAOYSA-N |
| Molecular Formula | C6H5BrN2O2 |