Benzenoids
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3,5-Dibromo-1-trimethylsilylbenzene 97.0+%, TCI America™
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CAS: 17878-23-8 Molecular Formula: C9H12Br2Si Molecular Weight (g/mol): 308.09 MDL Number: MFCD03844787 InChI Key: SZQQTWLBYAKIOT-UHFFFAOYSA-N Synonym: (3,5-Dibromophenyl)trimethylsilane PubChem CID: 626244 IUPAC Name: (3,5-dibromophenyl)trimethylsilane SMILES: C[Si](C)(C)C1=CC(Br)=CC(Br)=C1
| PubChem CID | 626244 |
|---|---|
| CAS | 17878-23-8 |
| Molecular Weight (g/mol) | 308.09 |
| MDL Number | MFCD03844787 |
| SMILES | C[Si](C)(C)C1=CC(Br)=CC(Br)=C1 |
| Synonym | (3,5-Dibromophenyl)trimethylsilane |
| IUPAC Name | (3,5-dibromophenyl)trimethylsilane |
| InChI Key | SZQQTWLBYAKIOT-UHFFFAOYSA-N |
| Molecular Formula | C9H12Br2Si |
Ethyl 4-Methoxyphenylacetate 98.0+%, TCI America™
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CAS: 14062-18-1 Molecular Formula: C11H14O3 Molecular Weight (g/mol): 194.23 MDL Number: MFCD00040760 InChI Key: DOCCDOCIYYDLGJ-UHFFFAOYSA-N Synonym: ethyl 2-4-methoxyphenyl acetate,ethyl 4-methoxyphenylacetate,4-methoxyphenylacetic acid ethyl ester,benzeneacetic acid, 4-methoxy-, ethyl ester,ethyl p-methoxyphenylacetate,ethyl 4-methoxyphenyl acetate,4-methoxy-phenyl-acetic acid ethyl ester,acmc-1bnx2,homoanisic acid ethyl ester PubChem CID: 84174 IUPAC Name: ethyl 2-(4-methoxyphenyl)acetate SMILES: CCOC(=O)CC1=CC=C(C=C1)OC
| PubChem CID | 84174 |
|---|---|
| CAS | 14062-18-1 |
| Molecular Weight (g/mol) | 194.23 |
| MDL Number | MFCD00040760 |
| SMILES | CCOC(=O)CC1=CC=C(C=C1)OC |
| Synonym | ethyl 2-4-methoxyphenyl acetate,ethyl 4-methoxyphenylacetate,4-methoxyphenylacetic acid ethyl ester,benzeneacetic acid, 4-methoxy-, ethyl ester,ethyl p-methoxyphenylacetate,ethyl 4-methoxyphenyl acetate,4-methoxy-phenyl-acetic acid ethyl ester,acmc-1bnx2,homoanisic acid ethyl ester |
| IUPAC Name | ethyl 2-(4-methoxyphenyl)acetate |
| InChI Key | DOCCDOCIYYDLGJ-UHFFFAOYSA-N |
| Molecular Formula | C11H14O3 |
Cloperastine Hydrochloride 97.0+%, TCI America™
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CAS: 14984-68-0 Molecular Formula: C20H25Cl2NO Molecular Weight (g/mol): 366.33 MDL Number: MFCD00079012 InChI Key: UNPLRYRWJLTVAE-UHFFFAOYNA-N Synonym: 1-[2-[(4-Chlorophenyl)(phenyl)methoxy]ethyl]piperidine Hydrochloride, 4-Chlorobenzhydryl 2-(1-Piperidyl)ethyl Ether Hydrochloride PubChem CID: 161104 IUPAC Name: hydrogen 1-{2-[(4-chlorophenyl)(phenyl)methoxy]ethyl}piperidine chloride SMILES: [H+].[Cl-].ClC1=CC=C(C=C1)C(OCCN1CCCCC1)C1=CC=CC=C1
| PubChem CID | 161104 |
|---|---|
| CAS | 14984-68-0 |
| Molecular Weight (g/mol) | 366.33 |
| MDL Number | MFCD00079012 |
| SMILES | [H+].[Cl-].ClC1=CC=C(C=C1)C(OCCN1CCCCC1)C1=CC=CC=C1 |
| Synonym | 1-[2-[(4-Chlorophenyl)(phenyl)methoxy]ethyl]piperidine Hydrochloride, 4-Chlorobenzhydryl 2-(1-Piperidyl)ethyl Ether Hydrochloride |
| IUPAC Name | hydrogen 1-{2-[(4-chlorophenyl)(phenyl)methoxy]ethyl}piperidine chloride |
| InChI Key | UNPLRYRWJLTVAE-UHFFFAOYNA-N |
| Molecular Formula | C20H25Cl2NO |
4-Fluorotoluene 99.0+%, TCI America™
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CAS: 352-32-9 Molecular Formula: C7H7F Molecular Weight (g/mol): 110.131 MDL Number: MFCD00000358 InChI Key: WRWPPGUCZBJXKX-UHFFFAOYSA-N Synonym: 4-fluorotoluene,p-fluorotoluene,benzene, 1-fluoro-4-methyl,p-fluoromethylbenzene,toluene, p-fluoro,1-methyl-4-fluorobenzene,p-fluoromethyl benzene,unii-nud6wz1b8f,p-tolyl fluoride,para-fluorotoluene PubChem CID: 9603 IUPAC Name: 1-fluoro-4-methylbenzene SMILES: CC1=CC=C(C=C1)F
| PubChem CID | 9603 |
|---|---|
| CAS | 352-32-9 |
| Molecular Weight (g/mol) | 110.131 |
| MDL Number | MFCD00000358 |
| SMILES | CC1=CC=C(C=C1)F |
| Synonym | 4-fluorotoluene,p-fluorotoluene,benzene, 1-fluoro-4-methyl,p-fluoromethylbenzene,toluene, p-fluoro,1-methyl-4-fluorobenzene,p-fluoromethyl benzene,unii-nud6wz1b8f,p-tolyl fluoride,para-fluorotoluene |
| IUPAC Name | 1-fluoro-4-methylbenzene |
| InChI Key | WRWPPGUCZBJXKX-UHFFFAOYSA-N |
| Molecular Formula | C7H7F |
2-Nitro-p-xylylene Glycol 95.0+%, TCI America™
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CAS: 23222-97-1 Molecular Formula: C8H9NO4 Molecular Weight (g/mol): 183.163 MDL Number: MFCD00024286 InChI Key: KWVHOBYJXDKIPL-UHFFFAOYSA-N PubChem CID: 90035 IUPAC Name: [4-(hydroxymethyl)-3-nitrophenyl]methanol SMILES: C1=CC(=C(C=C1CO)[N+](=O)[O-])CO
| PubChem CID | 90035 |
|---|---|
| CAS | 23222-97-1 |
| Molecular Weight (g/mol) | 183.163 |
| MDL Number | MFCD00024286 |
| SMILES | C1=CC(=C(C=C1CO)[N+](=O)[O-])CO |
| IUPAC Name | [4-(hydroxymethyl)-3-nitrophenyl]methanol |
| InChI Key | KWVHOBYJXDKIPL-UHFFFAOYSA-N |
| Molecular Formula | C8H9NO4 |
trans,trans-1,4-Diphenyl-1,3-butadiene 99.0+%, TCI America™
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CAS: 886-65-7 Molecular Formula: C16H14 Molecular Weight (g/mol): 206.29 MDL Number: MFCD00004791 InChI Key: JFLKFZNIIQFQBS-FNCQTZNRSA-N Synonym: 1e,3z-1,4-diphenyl-1,3-butadiene,cis,trans-1,4-diphenylbutadiene,e,z-1,4-diphenyl-1,3-butadiene,cis,trans-1,4-diphenyl-1,3-butadiene,1,3-butadiene, 1,4-diphenyl-, e,z,1,4-diphenyl-1,3-butadiene, 1e,3z,benzene,1'-1,3-butadiene-1,4-diyl bis,1z,3e-4-phenylbuta-1,3-dienyl benzene,benzene,1,1'-1,3-butadiene-1,4-diyl bis,1,4-diphenyl-1,3-butadiene e,z-form mi PubChem CID: 1551381 IUPAC Name: [(1E,3E)-4-phenylbuta-1,3-dien-1-yl]benzene SMILES: C(\C=C\C1=CC=CC=C1)=C/C1=CC=CC=C1
| PubChem CID | 1551381 |
|---|---|
| CAS | 886-65-7 |
| Molecular Weight (g/mol) | 206.29 |
| MDL Number | MFCD00004791 |
| SMILES | C(\C=C\C1=CC=CC=C1)=C/C1=CC=CC=C1 |
| Synonym | 1e,3z-1,4-diphenyl-1,3-butadiene,cis,trans-1,4-diphenylbutadiene,e,z-1,4-diphenyl-1,3-butadiene,cis,trans-1,4-diphenyl-1,3-butadiene,1,3-butadiene, 1,4-diphenyl-, e,z,1,4-diphenyl-1,3-butadiene, 1e,3z,benzene,1'-1,3-butadiene-1,4-diyl bis,1z,3e-4-phenylbuta-1,3-dienyl benzene,benzene,1,1'-1,3-butadiene-1,4-diyl bis,1,4-diphenyl-1,3-butadiene e,z-form mi |
| IUPAC Name | [(1E,3E)-4-phenylbuta-1,3-dien-1-yl]benzene |
| InChI Key | JFLKFZNIIQFQBS-FNCQTZNRSA-N |
| Molecular Formula | C16H14 |
2-Fluorophenylboronic Acid (contains varying amounts of Anhydride), TCI America™
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| PubChem CID | 2734354 |
|---|---|
| CAS | 1993-03-9 |
| Molecular Weight (g/mol) | 139.92 |
| MDL Number | MFCD00674013 |
| Physical Form | Crystalline Powder |
| SMILES | B(C1=CC=CC=C1F)(O)O |
| Synonym | 2-fluorophenyl boronic acid,2-fluorobenzeneboronic acid,2-fluorophenyl boranediol,o-fluorophenylboronic acid,boronic acid, b-2-fluorophenyl |
| TSCA | No |
| IUPAC Name | (2-fluorophenyl)boronic acid |
| InChI Key | QCSLIRFWJPOENV-UHFFFAOYSA-N |
| Molecular Formula | C6H6BFO2 |
| Formula Weight | 139.92 |
| Melting Point | 110°C |
9-Aminoanthracene 96.0+%, TCI America™
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CAS: 779-03-3 Molecular Formula: C14H11N Molecular Weight (g/mol): 193.249 MDL Number: MFCD00452690 InChI Key: LHNICELDCMPPDE-UHFFFAOYSA-N Synonym: 9-Anthramine PubChem CID: 13069 ChEBI: CHEBI:50472 IUPAC Name: anthracen-9-amine SMILES: C1=CC=C2C(=C1)C=C3C=CC=CC3=C2N
| PubChem CID | 13069 |
|---|---|
| CAS | 779-03-3 |
| Molecular Weight (g/mol) | 193.249 |
| ChEBI | CHEBI:50472 |
| MDL Number | MFCD00452690 |
| SMILES | C1=CC=C2C(=C1)C=C3C=CC=CC3=C2N |
| Synonym | 9-Anthramine |
| IUPAC Name | anthracen-9-amine |
| InChI Key | LHNICELDCMPPDE-UHFFFAOYSA-N |
| Molecular Formula | C14H11N |
Lercanidipine Hydrochloride 98.0+%, TCI America™
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CAS: 132866-11-6 Molecular Formula: C36H42ClN3O6 Molecular Weight (g/mol): 648.197 MDL Number: MFCD07773089 InChI Key: WMFYOYKPJLRMJI-UHFFFAOYSA-N Synonym: lercanidipine hydrochloride,lercanidipine hcl,cardiovasc,carmen,corifeo,lerzam,lercadip,lercapin,lercaton,lerkamen PubChem CID: 157917 IUPAC Name: 5-O-[1-[3,3-diphenylpropyl(methyl)amino]-2-methylpropan-2-yl] 3-O-methyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate;hydrochloride SMILES: CC1=C(C(C(=C(N1)C)C(=O)OC(C)(C)CN(C)CCC(C2=CC=CC=C2)C3=CC=CC=C3)C4=CC(=CC=C4)[N+](=O)[O-])C(=O)OC.Cl
| PubChem CID | 157917 |
|---|---|
| CAS | 132866-11-6 |
| Molecular Weight (g/mol) | 648.197 |
| MDL Number | MFCD07773089 |
| SMILES | CC1=C(C(C(=C(N1)C)C(=O)OC(C)(C)CN(C)CCC(C2=CC=CC=C2)C3=CC=CC=C3)C4=CC(=CC=C4)[N+](=O)[O-])C(=O)OC.Cl |
| Synonym | lercanidipine hydrochloride,lercanidipine hcl,cardiovasc,carmen,corifeo,lerzam,lercadip,lercapin,lercaton,lerkamen |
| IUPAC Name | 5-O-[1-[3,3-diphenylpropyl(methyl)amino]-2-methylpropan-2-yl] 3-O-methyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate;hydrochloride |
| InChI Key | WMFYOYKPJLRMJI-UHFFFAOYSA-N |
| Molecular Formula | C36H42ClN3O6 |
3-Trifluoromethyl-5-nitrobenzoic Acid, TCI America™
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CAS: 328-80-3 Molecular Formula: C8H4F3NO4 Molecular Weight (g/mol): 235.118 MDL Number: MFCD00024509 InChI Key: ODCLHXGXGFBBTA-UHFFFAOYSA-N Synonym: 3-nitro-5-trifluoromethyl benzoic acid,3-nitro-5-trifluoromethylbenzoic acid,3-trifluoromethyl-5-nitrobenzoic acid,3-carboxy-5-nitrobenzotrifluoride,3-nitro-5 trifluoromethyl benzoic acid,benzoic acid, 3-nitro-5-trifluoromethyl,pubchem4544,acmc-1cr4t,rarechem al bo 1012 PubChem CID: 616602 SMILES: C1=C(C=C(C=C1C(F)(F)F)[N+](=O)[O-])C(=O)O
| PubChem CID | 616602 |
|---|---|
| CAS | 328-80-3 |
| Molecular Weight (g/mol) | 235.118 |
| MDL Number | MFCD00024509 |
| SMILES | C1=C(C=C(C=C1C(F)(F)F)[N+](=O)[O-])C(=O)O |
| Synonym | 3-nitro-5-trifluoromethyl benzoic acid,3-nitro-5-trifluoromethylbenzoic acid,3-trifluoromethyl-5-nitrobenzoic acid,3-carboxy-5-nitrobenzotrifluoride,3-nitro-5 trifluoromethyl benzoic acid,benzoic acid, 3-nitro-5-trifluoromethyl,pubchem4544,acmc-1cr4t,rarechem al bo 1012 |
| InChI Key | ODCLHXGXGFBBTA-UHFFFAOYSA-N |
| Molecular Formula | C8H4F3NO4 |
Citalopram Hydrobromide 98.0+%, TCI America™
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CAS: 59729-32-7 Molecular Formula: C20H22BrFN2O Molecular Weight (g/mol): 405.311 MDL Number: MFCD02101306 InChI Key: WIHMBLDNRMIGDW-UHFFFAOYSA-N Synonym: citalopram hydrobromide,citalopram hbr,cipramil,celexa,1-3-dimethylamino propyl-1-4-fluorophenyl-1,3-dihydroisobenzofuran-5-carbonitrile hydrobromide,elopram,seropram,1-3-dimethylamino propyl-1-4-fluorophenyl-1,3-dihydro-5-isobenzofurancarbonitrile hydrobromide,citalopram hydrobromide usan PubChem CID: 77995 IUPAC Name: 1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-3H-2-benzofuran-5-carbonitrile;hydrobromide SMILES: CN(C)CCCC1(C2=C(CO1)C=C(C=C2)C#N)C3=CC=C(C=C3)F.Br
| PubChem CID | 77995 |
|---|---|
| CAS | 59729-32-7 |
| Molecular Weight (g/mol) | 405.311 |
| MDL Number | MFCD02101306 |
| SMILES | CN(C)CCCC1(C2=C(CO1)C=C(C=C2)C#N)C3=CC=C(C=C3)F.Br |
| Synonym | citalopram hydrobromide,citalopram hbr,cipramil,celexa,1-3-dimethylamino propyl-1-4-fluorophenyl-1,3-dihydroisobenzofuran-5-carbonitrile hydrobromide,elopram,seropram,1-3-dimethylamino propyl-1-4-fluorophenyl-1,3-dihydro-5-isobenzofurancarbonitrile hydrobromide,citalopram hydrobromide usan |
| IUPAC Name | 1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-3H-2-benzofuran-5-carbonitrile;hydrobromide |
| InChI Key | WIHMBLDNRMIGDW-UHFFFAOYSA-N |
| Molecular Formula | C20H22BrFN2O |
2-(Trifluoromethyl)benzyl Chloride 98.0+%, TCI America™
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CAS: 21742-00-7 Molecular Formula: C8H6ClF3 Molecular Weight (g/mol): 194.581 MDL Number: MFCD00009920 InChI Key: BBXDMCQDLOCXRA-UHFFFAOYSA-N Synonym: 2-trifluoromethyl benzyl chloride,1-chloromethyl-2-trifluoromethyl benzene,2-trifluoromethyl benzylchloride,2-trifluoromethylbenzyl chloride,o-trifluoromethylbenzyl chloride,benzene, 1-chloromethyl-2-trifluoromethyl,alpha'-chloro-alpha,alpha,alpha-trifluoro-o-xylene,g1r bxfff,pubchem4692,acmc-209fnp PubChem CID: 89028 IUPAC Name: 1-(chloromethyl)-2-(trifluoromethyl)benzene SMILES: C1=CC=C(C(=C1)CCl)C(F)(F)F
| PubChem CID | 89028 |
|---|---|
| CAS | 21742-00-7 |
| Molecular Weight (g/mol) | 194.581 |
| MDL Number | MFCD00009920 |
| SMILES | C1=CC=C(C(=C1)CCl)C(F)(F)F |
| Synonym | 2-trifluoromethyl benzyl chloride,1-chloromethyl-2-trifluoromethyl benzene,2-trifluoromethyl benzylchloride,2-trifluoromethylbenzyl chloride,o-trifluoromethylbenzyl chloride,benzene, 1-chloromethyl-2-trifluoromethyl,alpha'-chloro-alpha,alpha,alpha-trifluoro-o-xylene,g1r bxfff,pubchem4692,acmc-209fnp |
| IUPAC Name | 1-(chloromethyl)-2-(trifluoromethyl)benzene |
| InChI Key | BBXDMCQDLOCXRA-UHFFFAOYSA-N |
| Molecular Formula | C8H6ClF3 |
N-(4-Aminobutyl)-2-naphthalenesulfonamide Hydrochloride 98.0+%, TCI America™
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CAS: 89108-46-3 Molecular Formula: C14H19ClN2O2S Molecular Weight (g/mol): 314.828 MDL Number: MFCD00058052 InChI Key: WYFVKUWCEVMLOL-UHFFFAOYSA-N Synonym: W-12 Hydrochloride PubChem CID: 9839864 IUPAC Name: N-(4-aminobutyl)naphthalene-2-sulfonamide;hydrochloride SMILES: C1=CC=C2C=C(C=CC2=C1)S(=O)(=O)NCCCCN.Cl
| PubChem CID | 9839864 |
|---|---|
| CAS | 89108-46-3 |
| Molecular Weight (g/mol) | 314.828 |
| MDL Number | MFCD00058052 |
| SMILES | C1=CC=C2C=C(C=CC2=C1)S(=O)(=O)NCCCCN.Cl |
| Synonym | W-12 Hydrochloride |
| IUPAC Name | N-(4-aminobutyl)naphthalene-2-sulfonamide;hydrochloride |
| InChI Key | WYFVKUWCEVMLOL-UHFFFAOYSA-N |
| Molecular Formula | C14H19ClN2O2S |
2-Aminoindan 99.0+%, TCI America™
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CAS: 2975-41-9 Molecular Formula: C9H12ClN Molecular Weight (g/mol): 169.65 MDL Number: MFCD00082597 InChI Key: XEHNLVMHWYPNEQ-UHFFFAOYSA-N Synonym: 2-aminoindan,2-aminoindane,indan-2-amine,2-indanamine,2,3-dihydro-1h-inden-2-ylamine,indan-2-ylamine,indane-2-ylamine,2-indanylamine,unii-1p810sq3ey,1h-inden-2-amine, 2,3-dihydro PubChem CID: 76310 IUPAC Name: hydrogen 2,3-dihydro-1H-inden-2-amine chloride SMILES: [H+].[Cl-].NC1CC2=CC=CC=C2C1
| PubChem CID | 76310 |
|---|---|
| CAS | 2975-41-9 |
| Molecular Weight (g/mol) | 169.65 |
| MDL Number | MFCD00082597 |
| SMILES | [H+].[Cl-].NC1CC2=CC=CC=C2C1 |
| Synonym | 2-aminoindan,2-aminoindane,indan-2-amine,2-indanamine,2,3-dihydro-1h-inden-2-ylamine,indan-2-ylamine,indane-2-ylamine,2-indanylamine,unii-1p810sq3ey,1h-inden-2-amine, 2,3-dihydro |
| IUPAC Name | hydrogen 2,3-dihydro-1H-inden-2-amine chloride |
| InChI Key | XEHNLVMHWYPNEQ-UHFFFAOYSA-N |
| Molecular Formula | C9H12ClN |
2-Bromophenylhydrazine Hydrochloride Hydrate 98.0+%, TCI America™
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CAS: 50709-33-6 Molecular Formula: C6H8BrClN2 Molecular Weight (g/mol): 223.498 MDL Number: MFCD00012926 InChI Key: PHCYUJRYSFMJMG-UHFFFAOYSA-N Synonym: 2-bromophenylhydrazine hydrochloride,2-bromophenyl hydrazine hydrochloride,2-bromophenylhydrazine hcl,hydrazine, 2-bromophenyl-, monohydrochloride,1-2-bromophenyl hydrazine hydrochloride,1-bromo-2-hydrazino benzene hydrochloride,pubchem4463,acmc-1b1zz,ksc270g5h,2-bromophenylhydrazine, chloride PubChem CID: 2723912 IUPAC Name: (2-bromophenyl)hydrazine;hydrochloride SMILES: C1=CC=C(C(=C1)NN)Br.Cl
| PubChem CID | 2723912 |
|---|---|
| CAS | 50709-33-6 |
| Molecular Weight (g/mol) | 223.498 |
| MDL Number | MFCD00012926 |
| SMILES | C1=CC=C(C(=C1)NN)Br.Cl |
| Synonym | 2-bromophenylhydrazine hydrochloride,2-bromophenyl hydrazine hydrochloride,2-bromophenylhydrazine hcl,hydrazine, 2-bromophenyl-, monohydrochloride,1-2-bromophenyl hydrazine hydrochloride,1-bromo-2-hydrazino benzene hydrochloride,pubchem4463,acmc-1b1zz,ksc270g5h,2-bromophenylhydrazine, chloride |
| IUPAC Name | (2-bromophenyl)hydrazine;hydrochloride |
| InChI Key | PHCYUJRYSFMJMG-UHFFFAOYSA-N |
| Molecular Formula | C6H8BrClN2 |