Benzene and substituted derivatives
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Bromopentafluorobenzene 99.0+%, TCI America™
CAS: 344-04-7 Molecular Formula: C6BrF5 Molecular Weight (g/mol): 246.96 MDL Number: MFCD00000287 InChI Key: XEKTVXADUPBFOA-UHFFFAOYSA-N Synonym: bromopentafluorobenzene,pentafluorobromobenzene,benzene, bromopentafluoro,bromoperfluorobenzene,pentafluorophenyl bromide,2,3,4,5,6-pentafluorobromobenzene,benzene, 1-bromo-2,3,4,5,6-pentafluoro,1-bromo-pentafluorobenzene,2,3,4,5,6-bromopentafluorobenzene,1-bromo-2,3,4,5,6-pentafluoro-benzene PubChem CID: 9578 IUPAC Name: 1-bromo-2,3,4,5,6-pentafluorobenzene SMILES: FC1=C(F)C(F)=C(Br)C(F)=C1F
| PubChem CID | 9578 |
|---|---|
| CAS | 344-04-7 |
| Molecular Weight (g/mol) | 246.96 |
| MDL Number | MFCD00000287 |
| SMILES | FC1=C(F)C(F)=C(Br)C(F)=C1F |
| Synonym | bromopentafluorobenzene,pentafluorobromobenzene,benzene, bromopentafluoro,bromoperfluorobenzene,pentafluorophenyl bromide,2,3,4,5,6-pentafluorobromobenzene,benzene, 1-bromo-2,3,4,5,6-pentafluoro,1-bromo-pentafluorobenzene,2,3,4,5,6-bromopentafluorobenzene,1-bromo-2,3,4,5,6-pentafluoro-benzene |
| IUPAC Name | 1-bromo-2,3,4,5,6-pentafluorobenzene |
| InChI Key | XEKTVXADUPBFOA-UHFFFAOYSA-N |
| Molecular Formula | C6BrF5 |
5,5'-Dithiobis(2-nitrobenzoic Acid) 98.0+%, TCI America™
CAS: 69-78-3 Molecular Formula: C14H8N2O8S2 Molecular Weight (g/mol): 396.34 MDL Number: MFCD00007140 InChI Key: KIUMMUBSPKGMOY-UHFFFAOYSA-N Synonym: dtnb,5,5'-dithiobis 2-nitrobenzoic acid,ellman's reagent,3-carboxy-4-nitrophenyl disulfide,dithionitrobenzoic acid,dithiobisnitrobenzoic acid,5,5'-disulfanediylbis 2-nitrobenzoic acid,benzoic acid, 3,3'-dithiobis 6-nitro,3,3'-dithiobis 6-nitrobenzoic acid,5,5'-dithio-bis 2-nitrobenzoic acid PubChem CID: 6254 ChEBI: CHEBI:86228 IUPAC Name: 5-[(3-carboxy-4-nitrophenyl)disulfanyl]-2-nitrobenzoic acid SMILES: OC(=O)C1=CC(SSC2=CC=C(C(=C2)C(O)=O)[N+]([O-])=O)=CC=C1[N+]([O-])=O
| PubChem CID | 6254 |
|---|---|
| CAS | 69-78-3 |
| Molecular Weight (g/mol) | 396.34 |
| ChEBI | CHEBI:86228 |
| MDL Number | MFCD00007140 |
| SMILES | OC(=O)C1=CC(SSC2=CC=C(C(=C2)C(O)=O)[N+]([O-])=O)=CC=C1[N+]([O-])=O |
| Synonym | dtnb,5,5'-dithiobis 2-nitrobenzoic acid,ellman's reagent,3-carboxy-4-nitrophenyl disulfide,dithionitrobenzoic acid,dithiobisnitrobenzoic acid,5,5'-disulfanediylbis 2-nitrobenzoic acid,benzoic acid, 3,3'-dithiobis 6-nitro,3,3'-dithiobis 6-nitrobenzoic acid,5,5'-dithio-bis 2-nitrobenzoic acid |
| IUPAC Name | 5-[(3-carboxy-4-nitrophenyl)disulfanyl]-2-nitrobenzoic acid |
| InChI Key | KIUMMUBSPKGMOY-UHFFFAOYSA-N |
| Molecular Formula | C14H8N2O8S2 |
Veratryl Alcohol 98.0+%, TCI America™
CAS: 93-03-8 Molecular Formula: C9H12O3 Molecular Weight (g/mol): 168.192 MDL Number: MFCD00004638 InChI Key: OEGPRYNGFWGMMV-UHFFFAOYSA-N Synonym: 3,4-dimethoxybenzyl alcohol,veratryl alcohol,3,4-dimethoxyphenyl methanol,benzenemethanol, 3,4-dimethoxy,3,4-dimethoxyphenylmethyl alcohol,veratrole alcohol,3,4-dimethoxybenzenemethanol,unii-mb4t4a711h,3,4-dimethoxyphenyl-methanol PubChem CID: 7118 ChEBI: CHEBI:62150 IUPAC Name: (3,4-dimethoxyphenyl)methanol SMILES: COC1=C(C=C(C=C1)CO)OC
| PubChem CID | 7118 |
|---|---|
| CAS | 93-03-8 |
| Molecular Weight (g/mol) | 168.192 |
| ChEBI | CHEBI:62150 |
| MDL Number | MFCD00004638 |
| SMILES | COC1=C(C=C(C=C1)CO)OC |
| Synonym | 3,4-dimethoxybenzyl alcohol,veratryl alcohol,3,4-dimethoxyphenyl methanol,benzenemethanol, 3,4-dimethoxy,3,4-dimethoxyphenylmethyl alcohol,veratrole alcohol,3,4-dimethoxybenzenemethanol,unii-mb4t4a711h,3,4-dimethoxyphenyl-methanol |
| IUPAC Name | (3,4-dimethoxyphenyl)methanol |
| InChI Key | OEGPRYNGFWGMMV-UHFFFAOYSA-N |
| Molecular Formula | C9H12O3 |
3-(Trifluoromethyl)phenyl Isocyanate 96.0+%, TCI America™
CAS: 329-01-1 Molecular Formula: C8H4F3NO Molecular Weight (g/mol): 187.12 MDL Number: MFCD00002020 InChI Key: SXJYSIBLFGQAND-UHFFFAOYSA-N Synonym: 3-trifluoromethyl phenyl isocyanate,1-isocyanato-3-trifluoromethyl benzene,benzene, 1-isocyanato-3-trifluoromethyl,a,a,a-trifluoro-m-tolyl isocyanate,isocyanobenzotrifluoride,unii-qps7llz6xm,3-trifluoromethylphenyl isocyanate,alpha,alpha,alpha-trifluoro-m-tolyl isocyanate,3-trifluoromethyl phenylisocyanate,qps7llz6xm PubChem CID: 9483 IUPAC Name: 1-isocyanato-3-(trifluoromethyl)benzene SMILES: FC(F)(F)C1=CC=CC(=C1)N=C=O
| PubChem CID | 9483 |
|---|---|
| CAS | 329-01-1 |
| Molecular Weight (g/mol) | 187.12 |
| MDL Number | MFCD00002020 |
| SMILES | FC(F)(F)C1=CC=CC(=C1)N=C=O |
| Synonym | 3-trifluoromethyl phenyl isocyanate,1-isocyanato-3-trifluoromethyl benzene,benzene, 1-isocyanato-3-trifluoromethyl,a,a,a-trifluoro-m-tolyl isocyanate,isocyanobenzotrifluoride,unii-qps7llz6xm,3-trifluoromethylphenyl isocyanate,alpha,alpha,alpha-trifluoro-m-tolyl isocyanate,3-trifluoromethyl phenylisocyanate,qps7llz6xm |
| IUPAC Name | 1-isocyanato-3-(trifluoromethyl)benzene |
| InChI Key | SXJYSIBLFGQAND-UHFFFAOYSA-N |
| Molecular Formula | C8H4F3NO |
cis-3-Hexen-1-yl Benzoate 98.0+%, TCI America™
CAS: 25152-85-6 Molecular Formula: C13H16O2 Molecular Weight (g/mol): 204.269 MDL Number: MFCD00036526 InChI Key: BCOXBEHFBZOJJZ-ARJAWSKDSA-N Synonym: Benzoic Acid cis-3-Hexen-1-yl Ester PubChem CID: 5367706 IUPAC Name: [(Z)-hex-3-enyl] benzoate SMILES: CCC=CCCOC(=O)C1=CC=CC=C1
| PubChem CID | 5367706 |
|---|---|
| CAS | 25152-85-6 |
| Molecular Weight (g/mol) | 204.269 |
| MDL Number | MFCD00036526 |
| SMILES | CCC=CCCOC(=O)C1=CC=CC=C1 |
| Synonym | Benzoic Acid cis-3-Hexen-1-yl Ester |
| IUPAC Name | [(Z)-hex-3-enyl] benzoate |
| InChI Key | BCOXBEHFBZOJJZ-ARJAWSKDSA-N |
| Molecular Formula | C13H16O2 |
Dithizone, ACS Reagent Grade, Ricca Chemical
CAS: 60-10-6 Molecular Formula: C13H12N4S Molecular Weight (g/mol): 256.33 MDL Number: MFCD00003025 InChI Key: UOFGSWVZMUXXIY-UHFFFAOYSA-N Synonym: dithizone,dithizon,ditizon,carbazone, diphenylthio,usaf ek-3092,diazenecarbothioic acid, phenyl-, 2-phenylhydrazide,1,5-diphenyl-3-mercaptoformazan,3-formazanthiol, 1,5-diphenyl,unii-njz2cj4d6p,1,5-diphenyl-3-thiocarbazone PubChem CID: 657262 IUPAC Name: 3-(phenylamino)-1-(phenylimino)thiourea SMILES: S=C(NNC1=CC=CC=C1)N=NC1=CC=CC=C1
| PubChem CID | 657262 |
|---|---|
| CAS | 60-10-6 |
| Molecular Weight (g/mol) | 256.33 |
| MDL Number | MFCD00003025 |
| SMILES | S=C(NNC1=CC=CC=C1)N=NC1=CC=CC=C1 |
| Synonym | dithizone,dithizon,ditizon,carbazone, diphenylthio,usaf ek-3092,diazenecarbothioic acid, phenyl-, 2-phenylhydrazide,1,5-diphenyl-3-mercaptoformazan,3-formazanthiol, 1,5-diphenyl,unii-njz2cj4d6p,1,5-diphenyl-3-thiocarbazone |
| IUPAC Name | 3-(phenylamino)-1-(phenylimino)thiourea |
| InChI Key | UOFGSWVZMUXXIY-UHFFFAOYSA-N |
| Molecular Formula | C13H12N4S |
4-Nitro-2-(trifluoromethyl)benzonitrile 98.0+%, TCI America™
CAS: 320-47-8 Molecular Formula: C8H3F3N2O2 Molecular Weight (g/mol): 216.119 MDL Number: MFCD01075729 InChI Key: AGKQJEFSEQHGTA-UHFFFAOYSA-N Synonym: 4-nitro-2-trifluoromethyl benzonitrile,2-cyano-5-nitrobenzotrifluoride,2-trifluoromethyl-4-nitrobenzonitrile,benzonitrile, 4-nitro-2-trifluoromethyl,4-nitro-2-trifluoromethyl benzenecarbonitrile,pubchem4821,acmc-1ctuy,buttpark 91\04-59,4-cyano-3-trifluoromethyl nitrobenzene PubChem CID: 2775783 IUPAC Name: 4-nitro-2-(trifluoromethyl)benzonitrile SMILES: C1=CC(=C(C=C1[N+](=O)[O-])C(F)(F)F)C#N
| PubChem CID | 2775783 |
|---|---|
| CAS | 320-47-8 |
| Molecular Weight (g/mol) | 216.119 |
| MDL Number | MFCD01075729 |
| SMILES | C1=CC(=C(C=C1[N+](=O)[O-])C(F)(F)F)C#N |
| Synonym | 4-nitro-2-trifluoromethyl benzonitrile,2-cyano-5-nitrobenzotrifluoride,2-trifluoromethyl-4-nitrobenzonitrile,benzonitrile, 4-nitro-2-trifluoromethyl,4-nitro-2-trifluoromethyl benzenecarbonitrile,pubchem4821,acmc-1ctuy,buttpark 91\04-59,4-cyano-3-trifluoromethyl nitrobenzene |
| IUPAC Name | 4-nitro-2-(trifluoromethyl)benzonitrile |
| InChI Key | AGKQJEFSEQHGTA-UHFFFAOYSA-N |
| Molecular Formula | C8H3F3N2O2 |
Dihexyl Phthalate 98.0+%, TCI America™
CAS: 84-75-3 Molecular Formula: C20H30O4 Molecular Weight (g/mol): 334.46 MDL Number: MFCD00043720 InChI Key: KCXZNSGUUQJJTR-UHFFFAOYSA-N Synonym: dihexyl phthalate,di-n-hexyl phthalate,di-n-hexylphthalate,phthalic acid, dihexyl ester,1,2-benzenedicarboxylic acid, dihexyl ester,phthalic acid di-n-hexyl ester,phthalic acid dihexyl ester,n-dihexyl phthalate,bis n-hexyl phthalate,dihexyl 1,2-benzenedicarboxylate PubChem CID: 6786 ChEBI: CHEBI:34678 IUPAC Name: 1,2-dihexyl benzene-1,2-dicarboxylate SMILES: CCCCCCOC(=O)C1=CC=CC=C1C(=O)OCCCCCC
| PubChem CID | 6786 |
|---|---|
| CAS | 84-75-3 |
| Molecular Weight (g/mol) | 334.46 |
| ChEBI | CHEBI:34678 |
| MDL Number | MFCD00043720 |
| SMILES | CCCCCCOC(=O)C1=CC=CC=C1C(=O)OCCCCCC |
| Synonym | dihexyl phthalate,di-n-hexyl phthalate,di-n-hexylphthalate,phthalic acid, dihexyl ester,1,2-benzenedicarboxylic acid, dihexyl ester,phthalic acid di-n-hexyl ester,phthalic acid dihexyl ester,n-dihexyl phthalate,bis n-hexyl phthalate,dihexyl 1,2-benzenedicarboxylate |
| IUPAC Name | 1,2-dihexyl benzene-1,2-dicarboxylate |
| InChI Key | KCXZNSGUUQJJTR-UHFFFAOYSA-N |
| Molecular Formula | C20H30O4 |
5-Amino-2,4,6-triiodoisophthaloyl Dichloride 98.0+%, TCI America™
CAS: 37441-29-5 Molecular Formula: C8H2Cl2I3NO2 Molecular Weight (g/mol): 595.722 MDL Number: MFCD00270836 InChI Key: FBJVWRITWDYUAC-UHFFFAOYSA-N PubChem CID: 9894858 IUPAC Name: 5-amino-2,4,6-triiodobenzene-1,3-dicarbonyl chloride SMILES: C1(=C(C(=C(C(=C1I)N)I)C(=O)Cl)I)C(=O)Cl
| PubChem CID | 9894858 |
|---|---|
| CAS | 37441-29-5 |
| Molecular Weight (g/mol) | 595.722 |
| MDL Number | MFCD00270836 |
| SMILES | C1(=C(C(=C(C(=C1I)N)I)C(=O)Cl)I)C(=O)Cl |
| IUPAC Name | 5-amino-2,4,6-triiodobenzene-1,3-dicarbonyl chloride |
| InChI Key | FBJVWRITWDYUAC-UHFFFAOYSA-N |
| Molecular Formula | C8H2Cl2I3NO2 |
3-Iodo-p-toluic Acid 98.0+%, TCI America™
CAS: 82998-57-0 Molecular Formula: C8H7IO2 Molecular Weight (g/mol): 262.046 MDL Number: MFCD00010392 InChI Key: LDDHMKANNXWUAK-UHFFFAOYSA-N Synonym: 3-iodo-4-methyl-benzoic acid,benzoic acid, 3-iodo-4-methyl,zlchem 953,3-iodo-p-toluicacid,pubchem3947,4-carboxy-2-iodotoluene,akos bbb/227,ksc449e9t,3-iodo-4-methyl benzoic acid,paragos 440021 PubChem CID: 621640 IUPAC Name: 3-iodo-4-methylbenzoic acid SMILES: CC1=C(C=C(C=C1)C(=O)O)I
| PubChem CID | 621640 |
|---|---|
| CAS | 82998-57-0 |
| Molecular Weight (g/mol) | 262.046 |
| MDL Number | MFCD00010392 |
| SMILES | CC1=C(C=C(C=C1)C(=O)O)I |
| Synonym | 3-iodo-4-methyl-benzoic acid,benzoic acid, 3-iodo-4-methyl,zlchem 953,3-iodo-p-toluicacid,pubchem3947,4-carboxy-2-iodotoluene,akos bbb/227,ksc449e9t,3-iodo-4-methyl benzoic acid,paragos 440021 |
| IUPAC Name | 3-iodo-4-methylbenzoic acid |
| InChI Key | LDDHMKANNXWUAK-UHFFFAOYSA-N |
| Molecular Formula | C8H7IO2 |
4-Chlorobenzophenone 98.0+%, TCI America™
CAS: 134-85-0 Molecular Formula: C13H9ClO Molecular Weight (g/mol): 216.664 MDL Number: MFCD00000622 InChI Key: UGVRJVHOJNYEHR-UHFFFAOYSA-N Synonym: 4-chlorobenzophenone,4-chlorophenyl phenyl methanone,p-chlorobenzophenone,methanone, 4-chlorophenyl phenyl,benzophenone, 4-chloro,p-cbp,unii-wih1iz728u,4-chloro benzophenone,4-chlorophenyl-phenylmethanone,wih1iz728u PubChem CID: 8653 IUPAC Name: (4-chlorophenyl)-phenylmethanone SMILES: C1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)Cl
| PubChem CID | 8653 |
|---|---|
| CAS | 134-85-0 |
| Molecular Weight (g/mol) | 216.664 |
| MDL Number | MFCD00000622 |
| SMILES | C1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)Cl |
| Synonym | 4-chlorobenzophenone,4-chlorophenyl phenyl methanone,p-chlorobenzophenone,methanone, 4-chlorophenyl phenyl,benzophenone, 4-chloro,p-cbp,unii-wih1iz728u,4-chloro benzophenone,4-chlorophenyl-phenylmethanone,wih1iz728u |
| IUPAC Name | (4-chlorophenyl)-phenylmethanone |
| InChI Key | UGVRJVHOJNYEHR-UHFFFAOYSA-N |
| Molecular Formula | C13H9ClO |
2,3,4-Trifluoroaniline 98.0+%, TCI America™
CAS: 3862-73-5 Molecular Formula: C6H4F3N Molecular Weight (g/mol): 147.1 MDL Number: MFCD00011737 InChI Key: WRDGNXCXTDDYBZ-UHFFFAOYSA-N Synonym: 2,3,4-trifluorobenzenamine,benzenamine, 2,3,4-trifluoro,2,3,4-trifluoraniline,2,3,4-trifluoro-phenylamine,aniline, 2,3,4-trifluoro,2,3,4-trifluoro aniline,2,3,4-trifluorophenylamine,pubchem2297,acmc-1clgf,2.3.4-trifluoroaniline PubChem CID: 77468 IUPAC Name: 2,3,4-trifluoroaniline SMILES: C1=CC(=C(C(=C1N)F)F)F
| PubChem CID | 77468 |
|---|---|
| CAS | 3862-73-5 |
| Molecular Weight (g/mol) | 147.1 |
| MDL Number | MFCD00011737 |
| SMILES | C1=CC(=C(C(=C1N)F)F)F |
| Synonym | 2,3,4-trifluorobenzenamine,benzenamine, 2,3,4-trifluoro,2,3,4-trifluoraniline,2,3,4-trifluoro-phenylamine,aniline, 2,3,4-trifluoro,2,3,4-trifluoro aniline,2,3,4-trifluorophenylamine,pubchem2297,acmc-1clgf,2.3.4-trifluoroaniline |
| IUPAC Name | 2,3,4-trifluoroaniline |
| InChI Key | WRDGNXCXTDDYBZ-UHFFFAOYSA-N |
| Molecular Formula | C6H4F3N |
2-Hydroxyethyl Salicylate 98.0+%, TCI America™
CAS: 87-28-5 Molecular Formula: C9H10O4 Molecular Weight (g/mol): 182.18 MDL Number: MFCD00002862 InChI Key: LVYLCBNXHHHPSB-UHFFFAOYSA-N Synonym: 2-hydroxyethyl salicylate,glycol salicylate,ethylene glycol monosalicylate,espirosal,glycol monosalicylate,rheumacyl,sarocol,spirosal,glysal,phlogont PubChem CID: 6880 ChEBI: CHEBI:86541 IUPAC Name: 2-hydroxyethyl 2-hydroxybenzoate SMILES: OCCOC(=O)C1=CC=CC=C1O
| PubChem CID | 6880 |
|---|---|
| CAS | 87-28-5 |
| Molecular Weight (g/mol) | 182.18 |
| ChEBI | CHEBI:86541 |
| MDL Number | MFCD00002862 |
| SMILES | OCCOC(=O)C1=CC=CC=C1O |
| Synonym | 2-hydroxyethyl salicylate,glycol salicylate,ethylene glycol monosalicylate,espirosal,glycol monosalicylate,rheumacyl,sarocol,spirosal,glysal,phlogont |
| IUPAC Name | 2-hydroxyethyl 2-hydroxybenzoate |
| InChI Key | LVYLCBNXHHHPSB-UHFFFAOYSA-N |
| Molecular Formula | C9H10O4 |
Hydrazobenzene 98.0+%, TCI America™
CAS: 122-66-7 Molecular Formula: C12H12N2 Molecular Weight (g/mol): 184.242 MDL Number: MFCD00003012 InChI Key: YBQZXXMEJHZYMB-UHFFFAOYSA-N Synonym: hydrazobenzene,1,2-diphenyldiazane,hydrazine, 1,2-diphenyl,n,n'-bianiline,n,n'-diphenylhydrazine,hydrazobenzen,benzene, hydrazodi,sym-diphenylhydrazine,rcra waste number u109,hydrazine, diphenyl PubChem CID: 31222 IUPAC Name: 1,2-diphenylhydrazine SMILES: C1=CC=C(C=C1)NNC2=CC=CC=C2
| PubChem CID | 31222 |
|---|---|
| CAS | 122-66-7 |
| Molecular Weight (g/mol) | 184.242 |
| MDL Number | MFCD00003012 |
| SMILES | C1=CC=C(C=C1)NNC2=CC=CC=C2 |
| Synonym | hydrazobenzene,1,2-diphenyldiazane,hydrazine, 1,2-diphenyl,n,n'-bianiline,n,n'-diphenylhydrazine,hydrazobenzen,benzene, hydrazodi,sym-diphenylhydrazine,rcra waste number u109,hydrazine, diphenyl |
| IUPAC Name | 1,2-diphenylhydrazine |
| InChI Key | YBQZXXMEJHZYMB-UHFFFAOYSA-N |
| Molecular Formula | C12H12N2 |
4-Fluorobenzyl Bromide 97.0+%, TCI America™
CAS: 459-46-1 Molecular Formula: C7H6BrF Molecular Weight (g/mol): 189.03 MDL Number: MFCD00000359 InChI Key: NVNPLEPBDPJYRZ-UHFFFAOYSA-N Synonym: 4-fluorobenzyl bromide,1-bromomethyl-4-fluorobenzene,p-fluorobenzyl bromide,4-fluorobenzylbromide,benzene, 1-bromomethyl-4-fluoro,alpha-bromo-p-fluorotoluene,alpha-bromo-4-fluorotoluene,1-bromomethyl-4-fluoro-benzene,4-bromomethyl-1-fluorobenzene,para-fluorobenzyl bromide PubChem CID: 68021 IUPAC Name: 1-(bromomethyl)-4-fluorobenzene SMILES: FC1=CC=C(CBr)C=C1
| PubChem CID | 68021 |
|---|---|
| CAS | 459-46-1 |
| Molecular Weight (g/mol) | 189.03 |
| MDL Number | MFCD00000359 |
| SMILES | FC1=CC=C(CBr)C=C1 |
| Synonym | 4-fluorobenzyl bromide,1-bromomethyl-4-fluorobenzene,p-fluorobenzyl bromide,4-fluorobenzylbromide,benzene, 1-bromomethyl-4-fluoro,alpha-bromo-p-fluorotoluene,alpha-bromo-4-fluorotoluene,1-bromomethyl-4-fluoro-benzene,4-bromomethyl-1-fluorobenzene,para-fluorobenzyl bromide |
| IUPAC Name | 1-(bromomethyl)-4-fluorobenzene |
| InChI Key | NVNPLEPBDPJYRZ-UHFFFAOYSA-N |
| Molecular Formula | C7H6BrF |