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Benzenoids

Organic compounds that are derived from or have a benzene group in their molecular structure. Benzene is an aromatic organic molecule composed of 6 carbon atoms and 6 hydrogen atoms that form a ring. Includes derivatives and substituted molecules.
Benzene and substituted derivatives (130,195)
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Naphthalenes (6,366)
Phenol esters (4,814)
Unsubstituted Phenols (1,453)
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Thiophenols (762)
Anthracenes (515)
Indanes (488)
Phenanthrenes and derivatives (364)
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Triphenyl compounds (278)
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1-hydroxylamino 2-unsubstituted benzenoids (6)

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4,111 – 4,125 of 159,106 results
4,111
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Dinitrodurene, 97%, Thermo Scientific™

CAS: 5465-13-4 InChI Key: AEPQXGFMAZTUEA-UHFFFAOYSA-N Synonym: 1,2,4,5-tetramethyl-3,6-dinitro-benzene,dinitrotrodurene,3,2,4,5-tetramethylbenzene,2,3,5,6-tetramethyl-p-dinitrobenzene,1,4,5-tetramethyl-3,6-dinitrobenzene,benzene,2,4,5-tetramethyl-3,6-dinitro,1,4-dinitro-2,3,5,6-tetramethylbenzene 97+% PubChem CID: 79593 IUPAC Name: 1,2,4,5-tetramethyl-3,6-dinitrobenzene SMILES: CC1=C(C(=C(C(=C1[N+](=O)[O-])C)C)[N+](=O)[O-])C

PubChem CID 79593
CAS 5465-13-4
SMILES CC1=C(C(=C(C(=C1[N+](=O)[O-])C)C)[N+](=O)[O-])C
Synonym 1,2,4,5-tetramethyl-3,6-dinitro-benzene,dinitrotrodurene,3,2,4,5-tetramethylbenzene,2,3,5,6-tetramethyl-p-dinitrobenzene,1,4,5-tetramethyl-3,6-dinitrobenzene,benzene,2,4,5-tetramethyl-3,6-dinitro,1,4-dinitro-2,3,5,6-tetramethylbenzene 97+%
IUPAC Name 1,2,4,5-tetramethyl-3,6-dinitrobenzene
InChI Key AEPQXGFMAZTUEA-UHFFFAOYSA-N
4,112
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5-Fluoro-2-nitrotoluene, 98+%

CAS: 446-33-3 Molecular Formula: C7H6FNO2 Molecular Weight (g/mol): 155.128 MDL Number: MFCD00007283 InChI Key: JHFOWEGCZWLHNW-UHFFFAOYSA-N Synonym: 5-fluoro-2-nitrotoluene,3-fluoro-6-nitrotoluene,4-fluoro-2-methylnitrobenzene,2-nitro-5-fluoro toluene,benzene, 4-fluoro-2-methyl-1-nitro,toluene, 5-fluoro-2-nitro,2-nitro-5-fluorotoluene,2-methyl-4-fluoronitrobenzene,3-methyl-4-nitrofluorobenzene,4-fluoro-2-methyl-1-nitro-benzene PubChem CID: 94956 IUPAC Name: 4-fluoro-2-methyl-1-nitrobenzene SMILES: CC1=C(C=CC(=C1)F)[N+](=O)[O-]

PubChem CID 94956
CAS 446-33-3
Molecular Weight (g/mol) 155.128
MDL Number MFCD00007283
SMILES CC1=C(C=CC(=C1)F)[N+](=O)[O-]
Synonym 5-fluoro-2-nitrotoluene,3-fluoro-6-nitrotoluene,4-fluoro-2-methylnitrobenzene,2-nitro-5-fluoro toluene,benzene, 4-fluoro-2-methyl-1-nitro,toluene, 5-fluoro-2-nitro,2-nitro-5-fluorotoluene,2-methyl-4-fluoronitrobenzene,3-methyl-4-nitrofluorobenzene,4-fluoro-2-methyl-1-nitro-benzene
IUPAC Name 4-fluoro-2-methyl-1-nitrobenzene
InChI Key JHFOWEGCZWLHNW-UHFFFAOYSA-N
Molecular Formula C7H6FNO2
4,113
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4-Methylsulfonyl-2-nitrotoluene, 99%

CAS: 1671-49-4 Molecular Formula: C8H9NO4S Molecular Weight (g/mol): 215.22 MDL Number: MFCD00047808 InChI Key: OXBDLEXAVKAJFD-UHFFFAOYSA-N Synonym: 4-methylsulfonyl-2-nitrotoluene,1-methyl-4-methylsulfonyl-2-nitrobenzene,2-nitro-4-methylsulfonyltoluene,4-mesyl-2-nitrotoluene,4-methanesulfonyl-1-methyl-2-nitrobenzene,methyl 3-nitro-p-tolyl sulfone,benzene, 1-methyl-4-methylsulfonyl-2-nitro,2-nitro-4-methylsulf,ksc532k5r,4-methy-2-nitrosulfonyl toluene PubChem CID: 687125 SMILES: CC1=CC=C(C=C1[N+]([O-])=O)S(C)(=O)=O

PubChem CID 687125
CAS 1671-49-4
Molecular Weight (g/mol) 215.22
MDL Number MFCD00047808
SMILES CC1=CC=C(C=C1[N+]([O-])=O)S(C)(=O)=O
Synonym 4-methylsulfonyl-2-nitrotoluene,1-methyl-4-methylsulfonyl-2-nitrobenzene,2-nitro-4-methylsulfonyltoluene,4-mesyl-2-nitrotoluene,4-methanesulfonyl-1-methyl-2-nitrobenzene,methyl 3-nitro-p-tolyl sulfone,benzene, 1-methyl-4-methylsulfonyl-2-nitro,2-nitro-4-methylsulf,ksc532k5r,4-methy-2-nitrosulfonyl toluene
InChI Key OXBDLEXAVKAJFD-UHFFFAOYSA-N
Molecular Formula C8H9NO4S
4,114

2-(2-Methyl-6-nitrophenyl)acetic acid, 95%, Thermo Scientific Chemicals

CAS: 23876-18-8 Molecular Formula: C9H9NO4 Molecular Weight (g/mol): 195.174 MDL Number: MFCD00066313 InChI Key: WFKNETIJXXWRHO-UHFFFAOYSA-N Synonym: 2-2-methyl-6-nitrophenyl acetic acid,2-methyl-6-nitrophenylacetic acid,2-methyl-6-nitrophenyl acetic acid,2-methyl-6-nitro-phenylacetic acid,2-6-methyl-2-nitrophenyl acetic acid PubChem CID: 675115 SMILES: CC1=C(C(=CC=C1)[N+](=O)[O-])CC(=O)O

PubChem CID 675115
CAS 23876-18-8
Molecular Weight (g/mol) 195.174
MDL Number MFCD00066313
SMILES CC1=C(C(=CC=C1)[N+](=O)[O-])CC(=O)O
Synonym 2-2-methyl-6-nitrophenyl acetic acid,2-methyl-6-nitrophenylacetic acid,2-methyl-6-nitrophenyl acetic acid,2-methyl-6-nitro-phenylacetic acid,2-6-methyl-2-nitrophenyl acetic acid
InChI Key WFKNETIJXXWRHO-UHFFFAOYSA-N
Molecular Formula C9H9NO4
4,115
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4-Methyl-2-nitroaniline, 99%

CAS: 89-62-3 Molecular Formula: C7H8N2O2 Molecular Weight (g/mol): 152.15 MDL Number: MFCD00007907 InChI Key: DLURHXYXQYMPLT-UHFFFAOYSA-N Synonym: 2-nitro-p-toluidine,4-amino-3-nitrotoluene,3-nitro-4-toluidine,fast red gl,3-nitro-4-aminotoluene,fast red gl base,benzenamine, 4-methyl-2-nitro,2-nitro-4-methylaniline,4-methyl-6-nitroaniline,mnpt PubChem CID: 6978 ChEBI: CHEBI:66920 IUPAC Name: 4-methyl-2-nitroaniline SMILES: CC1=CC=C(N)C(=C1)[N+]([O-])=O

PubChem CID 6978
CAS 89-62-3
Molecular Weight (g/mol) 152.15
ChEBI CHEBI:66920
MDL Number MFCD00007907
SMILES CC1=CC=C(N)C(=C1)[N+]([O-])=O
Synonym 2-nitro-p-toluidine,4-amino-3-nitrotoluene,3-nitro-4-toluidine,fast red gl,3-nitro-4-aminotoluene,fast red gl base,benzenamine, 4-methyl-2-nitro,2-nitro-4-methylaniline,4-methyl-6-nitroaniline,mnpt
IUPAC Name 4-methyl-2-nitroaniline
InChI Key DLURHXYXQYMPLT-UHFFFAOYSA-N
Molecular Formula C7H8N2O2
4,116
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4-Bromo-2-nitrotoluene, 99%

CAS: 60956-26-5 Molecular Formula: C7H6BrNO2 Molecular Weight (g/mol): 216.034 MDL Number: MFCD00041243 InChI Key: KZNXALJXBRSMFL-UHFFFAOYSA-N Synonym: 4-bromo-2-nitrotoluene,2-nitro-4-bromotoluene,4-bromo-6-nitrotoluene,bromo 4--2-nitrotoluene,5-bromo-2-methylnitrobenzene,benzene, 4-bromo-1-methyl-2-nitro,4-bromo-1-methyl-2-nitro-benzene,4-brom-2-nitrotoluol,pubchem10403,maybridge1_002072 PubChem CID: 123546 IUPAC Name: 4-bromo-1-methyl-2-nitrobenzene SMILES: CC1=C(C=C(C=C1)Br)[N+](=O)[O-]

PubChem CID 123546
CAS 60956-26-5
Molecular Weight (g/mol) 216.034
MDL Number MFCD00041243
SMILES CC1=C(C=C(C=C1)Br)[N+](=O)[O-]
Synonym 4-bromo-2-nitrotoluene,2-nitro-4-bromotoluene,4-bromo-6-nitrotoluene,bromo 4--2-nitrotoluene,5-bromo-2-methylnitrobenzene,benzene, 4-bromo-1-methyl-2-nitro,4-bromo-1-methyl-2-nitro-benzene,4-brom-2-nitrotoluol,pubchem10403,maybridge1_002072
IUPAC Name 4-bromo-1-methyl-2-nitrobenzene
InChI Key KZNXALJXBRSMFL-UHFFFAOYSA-N
Molecular Formula C7H6BrNO2
4,117
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2-Chloro-4-nitrotoluene, 98%

CAS: 121-86-8 Molecular Formula: C7H6ClNO2 Molecular Weight (g/mol): 171.58 MDL Number: MFCD00007210 InChI Key: LLYXJBROWQDVMI-UHFFFAOYSA-N Synonym: 2-chloro-4-nitrotoluene,benzene, 2-chloro-1-methyl-4-nitro,o-chloro-p-nitrotoluol,toluene, 2-chloro-4-nitro,3-chloro-4-methylnitrobenzene,2-chlor-4-nitrotoluen,unii-9t26lnr6t8,2-chloro-4-nitrotoluen czech,2,4-chloronitrotoluene,2-chloro-4-nitro-1-methylbenzene PubChem CID: 8491 IUPAC Name: 2-chloro-1-methyl-4-nitrobenzene SMILES: CC1=C(C=C(C=C1)[N+](=O)[O-])Cl

PubChem CID 8491
CAS 121-86-8
Molecular Weight (g/mol) 171.58
MDL Number MFCD00007210
SMILES CC1=C(C=C(C=C1)[N+](=O)[O-])Cl
Synonym 2-chloro-4-nitrotoluene,benzene, 2-chloro-1-methyl-4-nitro,o-chloro-p-nitrotoluol,toluene, 2-chloro-4-nitro,3-chloro-4-methylnitrobenzene,2-chlor-4-nitrotoluen,unii-9t26lnr6t8,2-chloro-4-nitrotoluen czech,2,4-chloronitrotoluene,2-chloro-4-nitro-1-methylbenzene
IUPAC Name 2-chloro-1-methyl-4-nitrobenzene
InChI Key LLYXJBROWQDVMI-UHFFFAOYSA-N
Molecular Formula C7H6ClNO2
4,118

4,6-Dimethyl-2-nitroaniline, 97%

CAS: 1635-84-3 Molecular Formula: C8H10N2O2 Molecular Weight (g/mol): 166.18 InChI Key: VSRYYONYIUUFFY-UHFFFAOYSA-N Synonym: 4,6-dimethyl-2-nitroaniline,6-nitro-2,4-xylidine,2,4-dimethyl-6-nitrophenyl amine,benzenamine, 2,4-dimethyl-6-nitro,2,4-dimethyl-6-nitrophenylamine,acmc-209uyq,intermediates-zcf02230,4-amino-5-nitro-m-xylene,cambridge id 5100320,2-nitro-4,6-dimethylaniline PubChem CID: 74219 IUPAC Name: 2,4-dimethyl-6-nitroaniline SMILES: CC1=CC(=C(C(=C1)[N+](=O)[O-])N)C

PubChem CID 74219
CAS 1635-84-3
Molecular Weight (g/mol) 166.18
SMILES CC1=CC(=C(C(=C1)[N+](=O)[O-])N)C
Synonym 4,6-dimethyl-2-nitroaniline,6-nitro-2,4-xylidine,2,4-dimethyl-6-nitrophenyl amine,benzenamine, 2,4-dimethyl-6-nitro,2,4-dimethyl-6-nitrophenylamine,acmc-209uyq,intermediates-zcf02230,4-amino-5-nitro-m-xylene,cambridge id 5100320,2-nitro-4,6-dimethylaniline
IUPAC Name 2,4-dimethyl-6-nitroaniline
InChI Key VSRYYONYIUUFFY-UHFFFAOYSA-N
Molecular Formula C8H10N2O2
4,119
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4,5-Difluoro-2-nitrotoluene, 98%, Thermo Scientific Chemicals

CAS: 127371-50-0 Molecular Formula: C7H5F2NO2 Molecular Weight (g/mol): 173.119 MDL Number: MFCD04973772 InChI Key: DJEBTFSOEQWELL-UHFFFAOYSA-N Synonym: 4,5-difluoro-2-nitrotoluene,2-nitro-4,5-difluorotoluene,4,5-difluoro-2-methylnitrobenzene,4,5-difluoro-1-methyl-2-nitrobenzene,benzene,1,2-difluoro-4-methyl-5-nitro,pubchem18518,acmc-1c6zu,1-nitro-3,4-difluoro-6-methylbenzene,1,2-difluoro-4-methyl-5-nitro-benzene,benzene, 1,2-difluoro-4-methyl-5-nitro PubChem CID: 2756252 IUPAC Name: 1,2-difluoro-4-methyl-5-nitrobenzene SMILES: CC1=CC(=C(C=C1[N+](=O)[O-])F)F

PubChem CID 2756252
CAS 127371-50-0
Molecular Weight (g/mol) 173.119
MDL Number MFCD04973772
SMILES CC1=CC(=C(C=C1[N+](=O)[O-])F)F
Synonym 4,5-difluoro-2-nitrotoluene,2-nitro-4,5-difluorotoluene,4,5-difluoro-2-methylnitrobenzene,4,5-difluoro-1-methyl-2-nitrobenzene,benzene,1,2-difluoro-4-methyl-5-nitro,pubchem18518,acmc-1c6zu,1-nitro-3,4-difluoro-6-methylbenzene,1,2-difluoro-4-methyl-5-nitro-benzene,benzene, 1,2-difluoro-4-methyl-5-nitro
IUPAC Name 1,2-difluoro-4-methyl-5-nitrobenzene
InChI Key DJEBTFSOEQWELL-UHFFFAOYSA-N
Molecular Formula C7H5F2NO2
4,120
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4-Chloro-2-nitrotoluene, 99%

CAS: 89-59-8 Molecular Formula: C7H6ClNO2 Molecular Weight (g/mol): 171.58 MDL Number: MFCD00007215 InChI Key: SQFLFRQWPBEDHM-UHFFFAOYSA-N Synonym: 4-chloro-2-nitrotoluene,2-nitro-4-chlorotoluene,benzene, 4-chloro-1-methyl-2-nitro,4,2-chloronitrotoluene,p-chloro-o-nitrotoluene,toluene, 4-chloro-2-nitro,4-chloro-1-methyl-2-nitro-benzene,ccris 3116,4-chlor-2-nitrotoluol,pubchem18919 PubChem CID: 6975 IUPAC Name: 4-chloro-1-methyl-2-nitrobenzene SMILES: CC1=CC=C(Cl)C=C1[N+]([O-])=O

PubChem CID 6975
CAS 89-59-8
Molecular Weight (g/mol) 171.58
MDL Number MFCD00007215
SMILES CC1=CC=C(Cl)C=C1[N+]([O-])=O
Synonym 4-chloro-2-nitrotoluene,2-nitro-4-chlorotoluene,benzene, 4-chloro-1-methyl-2-nitro,4,2-chloronitrotoluene,p-chloro-o-nitrotoluene,toluene, 4-chloro-2-nitro,4-chloro-1-methyl-2-nitro-benzene,ccris 3116,4-chlor-2-nitrotoluol,pubchem18919
IUPAC Name 4-chloro-1-methyl-2-nitrobenzene
InChI Key SQFLFRQWPBEDHM-UHFFFAOYSA-N
Molecular Formula C7H6ClNO2
4,121
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2-Fluoro-3-nitrotoluene, 98%

CAS: 437-86-5 Molecular Formula: C7H6FNO2 Molecular Weight (g/mol): 155.128 MDL Number: MFCD03412242 InChI Key: NBCNUIXYBLFJMI-UHFFFAOYSA-N Synonym: 2-fluoro-3-nitrotoluene,2-fluoro-3-methylnitrobenzene,benzene, 2-fluoro-1-methyl-3-nitro,pubchem1591,2-fluor-3-nitrotoluol,acmc-1agoj,ksc235o7n,2-fluoro-3-methyl-nitrobenzene,2-fluoro-1-methyl-3-nitro-benzene,1-methyl-2-fluoro-3-nitro-benzene PubChem CID: 13470957 IUPAC Name: 2-fluoro-1-methyl-3-nitrobenzene SMILES: CC1=C(C(=CC=C1)[N+](=O)[O-])F

PubChem CID 13470957
CAS 437-86-5
Molecular Weight (g/mol) 155.128
MDL Number MFCD03412242
SMILES CC1=C(C(=CC=C1)[N+](=O)[O-])F
Synonym 2-fluoro-3-nitrotoluene,2-fluoro-3-methylnitrobenzene,benzene, 2-fluoro-1-methyl-3-nitro,pubchem1591,2-fluor-3-nitrotoluol,acmc-1agoj,ksc235o7n,2-fluoro-3-methyl-nitrobenzene,2-fluoro-1-methyl-3-nitro-benzene,1-methyl-2-fluoro-3-nitro-benzene
IUPAC Name 2-fluoro-1-methyl-3-nitrobenzene
InChI Key NBCNUIXYBLFJMI-UHFFFAOYSA-N
Molecular Formula C7H6FNO2
4,122
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2-Fluoro-5-nitrotoluene, 98+%

CAS: 455-88-9 Molecular Formula: C7H6FNO2 Molecular Weight (g/mol): 155.13 MDL Number: MFCD00007284 InChI Key: XUCYJGMIICONES-UHFFFAOYSA-N Synonym: 2-fluoro-5-nitrotoluene,benzene, 1-fluoro-2-methyl-4-nitro,4-fluoro-3-methylnitrobenzene,toluene, 2-fluoro-5-nitro,1-fluoro-2-methyl-4-nitro-benzene,5-nitro-2-fluorotoluene,3-methyl-4-fluoronitrobenzene,pubchem1593,2-fluoro-5-nitro-toluene,5-nitro-2-fluoro toluene PubChem CID: 68001 IUPAC Name: 1-fluoro-2-methyl-4-nitrobenzene SMILES: CC1=CC(=CC=C1F)[N+]([O-])=O

PubChem CID 68001
CAS 455-88-9
Molecular Weight (g/mol) 155.13
MDL Number MFCD00007284
SMILES CC1=CC(=CC=C1F)[N+]([O-])=O
Synonym 2-fluoro-5-nitrotoluene,benzene, 1-fluoro-2-methyl-4-nitro,4-fluoro-3-methylnitrobenzene,toluene, 2-fluoro-5-nitro,1-fluoro-2-methyl-4-nitro-benzene,5-nitro-2-fluorotoluene,3-methyl-4-fluoronitrobenzene,pubchem1593,2-fluoro-5-nitro-toluene,5-nitro-2-fluoro toluene
IUPAC Name 1-fluoro-2-methyl-4-nitrobenzene
InChI Key XUCYJGMIICONES-UHFFFAOYSA-N
Molecular Formula C7H6FNO2
4,123
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2-Nitro-m-xylene, 99%

CAS: 81-20-9 Molecular Formula: C8H9NO2 Molecular Weight (g/mol): 151.165 MDL Number: MFCD00007181 InChI Key: HDFQKJQEWGVKCQ-UHFFFAOYSA-N Synonym: 2-nitro-m-xylene,2,6-dimethylnitrobenzene,benzene, 1,3-dimethyl-2-nitro,2,6-dimethyl-1-nitrobenzene,m-xylene, 2-nitro,ccris 3119,1,3-dimethyl-2-nitro-benzene,dsstox_cid_5134,dsstox_rid_77678,dsstox_gsid_25134 PubChem CID: 6672 IUPAC Name: 1,3-dimethyl-2-nitrobenzene SMILES: CC1=C(C(=CC=C1)C)[N+](=O)[O-]

PubChem CID 6672
CAS 81-20-9
Molecular Weight (g/mol) 151.165
MDL Number MFCD00007181
SMILES CC1=C(C(=CC=C1)C)[N+](=O)[O-]
Synonym 2-nitro-m-xylene,2,6-dimethylnitrobenzene,benzene, 1,3-dimethyl-2-nitro,2,6-dimethyl-1-nitrobenzene,m-xylene, 2-nitro,ccris 3119,1,3-dimethyl-2-nitro-benzene,dsstox_cid_5134,dsstox_rid_77678,dsstox_gsid_25134
IUPAC Name 1,3-dimethyl-2-nitrobenzene
InChI Key HDFQKJQEWGVKCQ-UHFFFAOYSA-N
Molecular Formula C8H9NO2
4,124
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4-Iodo-2-nitrotoluene, 97%

CAS: 41252-97-5 Molecular Formula: C7H6INO2 Molecular Weight (g/mol): 263.034 MDL Number: MFCD00051090 InChI Key: QLMRDNPXYNJQMQ-UHFFFAOYSA-N Synonym: 4-iodo-2-nitrotoluene,benzene, 4-iodo-1-methyl-2-nitro,pubchem15938,2-nitro-4-iodotoluene,acmc-1apfk,maybridge1_008109,ksc493s9d,4-iodo-1-methyl-2-nitro-benzene PubChem CID: 170481 IUPAC Name: 4-iodo-1-methyl-2-nitrobenzene SMILES: CC1=C(C=C(C=C1)I)[N+](=O)[O-]

PubChem CID 170481
CAS 41252-97-5
Molecular Weight (g/mol) 263.034
MDL Number MFCD00051090
SMILES CC1=C(C=C(C=C1)I)[N+](=O)[O-]
Synonym 4-iodo-2-nitrotoluene,benzene, 4-iodo-1-methyl-2-nitro,pubchem15938,2-nitro-4-iodotoluene,acmc-1apfk,maybridge1_008109,ksc493s9d,4-iodo-1-methyl-2-nitro-benzene
IUPAC Name 4-iodo-1-methyl-2-nitrobenzene
InChI Key QLMRDNPXYNJQMQ-UHFFFAOYSA-N
Molecular Formula C7H6INO2
4,125
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1-Ethynylpyrene, 98%

CAS: 34993-56-1 Molecular Formula: C18H10 Molecular Weight (g/mol): 226.28 MDL Number: MFCD02093933 InChI Key: VEBUBSLYGRMOSZ-UHFFFAOYSA-N Synonym: 1-ethynyl pyrene,pyrene, 1-ethynyl,ethynylpyrene,1-pyrenylethyne,ccris 4256,acmc-20aov2 PubChem CID: 154905 IUPAC Name: 1-ethynylpyrene SMILES: C#CC1=CC=C2C=CC3=CC=CC4=CC=C1C2=C34

PubChem CID 154905
CAS 34993-56-1
Molecular Weight (g/mol) 226.28
MDL Number MFCD02093933
SMILES C#CC1=CC=C2C=CC3=CC=CC4=CC=C1C2=C34
Synonym 1-ethynyl pyrene,pyrene, 1-ethynyl,ethynylpyrene,1-pyrenylethyne,ccris 4256,acmc-20aov2
IUPAC Name 1-ethynylpyrene
InChI Key VEBUBSLYGRMOSZ-UHFFFAOYSA-N
Molecular Formula C18H10