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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 (53,485)
Phenols (5,373)
Naphthalenes (4,107)
Fluorenes (1,022)
Unsubstituted Phenols (911)
Thiophenols (626)
Phenol esters (414)
Anthracenes (367)
Tetralins (305)
Triphenyl compounds (280)
Indanes (226)
Phenanthrenes and derivatives (215)
Pyrenes (159)
Dibenzocycloheptenes (52)
Naphthacenes (33)
Ellagic acids and derivatives (25)
Pentacenes (17)
Pentacenequinones (9)
Acenaphthylenes (7)
1-hydroxylamino 2-unsubstituted benzenoids (5)
Perylenequinones (3)

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136 – 150 of 54,612 results
136

4-Bromo-3-methylbenzoic acid, 97%

CAS: 7697-28-1 Molecular Formula: C8H6BrO2 Molecular Weight (g/mol): 214.04 MDL Number: MFCD00039526 InChI Key: KWVXDZLVCISXIB-UHFFFAOYSA-M Synonym: 4-bromo-m-toluic acid,4-bromo-3-methyl-benzoic acid,4-bromo-3-methylbenzoicacid,3-methyl-4-bromobenzoic acid,4-bromo-3-methyl benzoic acid,benzoic acid, 4-bromo-3-methyl,pubchem3807,4bromo-3-methylbenzoic acid,4-bromo-5-methylbenzoic acid,ksc379g0b PubChem CID: 82131 IUPAC Name: 4-bromo-3-methylbenzoic acid SMILES: CC1=CC(=CC=C1Br)C([O-])=O

EDGE
PubChem CID 82131
CAS 7697-28-1
Molecular Weight (g/mol) 214.04
MDL Number MFCD00039526
SMILES CC1=CC(=CC=C1Br)C([O-])=O
Synonym 4-bromo-m-toluic acid,4-bromo-3-methyl-benzoic acid,4-bromo-3-methylbenzoicacid,3-methyl-4-bromobenzoic acid,4-bromo-3-methyl benzoic acid,benzoic acid, 4-bromo-3-methyl,pubchem3807,4bromo-3-methylbenzoic acid,4-bromo-5-methylbenzoic acid,ksc379g0b
IUPAC Name 4-bromo-3-methylbenzoic acid
InChI Key KWVXDZLVCISXIB-UHFFFAOYSA-M
Molecular Formula C8H6BrO2
137

Methyl 4-bromo-3-methylbenzoate, 95%

CAS: 148547-19-7 Molecular Formula: C9H9BrO2 Molecular Weight (g/mol): 229.07 InChI Key: GTZTYNPAPQKIIR-UHFFFAOYSA-N Synonym: 4-bromo-3-methylbenzoic acid methyl ester,methyl4-bromo-3-methylbenzoate,methyl 4-bromo-m-toluate,4-bromo-3-methyl-benzoic acid methyl ester,methyl 4-bromo-3-methyl-benzoate,4-bromo-m-toluic acid methyl ester,benzoic acid, 4-bromo-3-methyl-, methyl ester,2-bromo-5-methoxycarbonyl toluene,3-methyl-4-bromobenzoic acid methyl ester,pubchem3970 PubChem CID: 3294148 IUPAC Name: methyl 4-bromo-3-methylbenzoate SMILES: CC1=C(C=CC(=C1)C(=O)OC)Br

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PubChem CID 3294148
CAS 148547-19-7
Molecular Weight (g/mol) 229.07
SMILES CC1=C(C=CC(=C1)C(=O)OC)Br
Synonym 4-bromo-3-methylbenzoic acid methyl ester,methyl4-bromo-3-methylbenzoate,methyl 4-bromo-m-toluate,4-bromo-3-methyl-benzoic acid methyl ester,methyl 4-bromo-3-methyl-benzoate,4-bromo-m-toluic acid methyl ester,benzoic acid, 4-bromo-3-methyl-, methyl ester,2-bromo-5-methoxycarbonyl toluene,3-methyl-4-bromobenzoic acid methyl ester,pubchem3970
IUPAC Name methyl 4-bromo-3-methylbenzoate
InChI Key GTZTYNPAPQKIIR-UHFFFAOYSA-N
Molecular Formula C9H9BrO2
138

4-Bromophenethyl bromide, 96%

CAS: 1746-28-7 Molecular Formula: C8H8Br2 Molecular Weight (g/mol): 263.96 InChI Key: APTDRDYSJZQPPI-UHFFFAOYSA-N Synonym: 1-bromo-4-2-bromoethyl benzene,4-bromophenethyl bromide,4-bromophenethylbromide,benzene,1-bromo-4-2-bromoethyl,4-bromo-1-2-bromoethyl benzene,pubchem16698,4-bromobenzylmethyl bromide,acmc-209e8m,1-bromo-4-2-bromoethyl ;benzene PubChem CID: 11010825 IUPAC Name: 1-bromo-4-(2-bromoethyl)benzene SMILES: C1=CC(=CC=C1CCBr)Br

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PubChem CID 11010825
CAS 1746-28-7
Molecular Weight (g/mol) 263.96
SMILES C1=CC(=CC=C1CCBr)Br
Synonym 1-bromo-4-2-bromoethyl benzene,4-bromophenethyl bromide,4-bromophenethylbromide,benzene,1-bromo-4-2-bromoethyl,4-bromo-1-2-bromoethyl benzene,pubchem16698,4-bromobenzylmethyl bromide,acmc-209e8m,1-bromo-4-2-bromoethyl ;benzene
IUPAC Name 1-bromo-4-(2-bromoethyl)benzene
InChI Key APTDRDYSJZQPPI-UHFFFAOYSA-N
Molecular Formula C8H8Br2
139

4-Hydrazinobenzoic acid, 98%

CAS: 619-67-0 Molecular Formula: C7H8N2O2 Molecular Weight (g/mol): 152.15 MDL Number: MFCD00007581 InChI Key: PCNFLKVWBDNNOW-UHFFFAOYSA-N Synonym: 4-hydrazinobenzoic acid,p-hydrazinobenzoic acid,benzoic acid, 4-hydrazino,p-carboxyphenylhydrazine,4-carboxyphenyl hydrazine,4-carboxyphenylhydrazine,4-hydrazino benzoic acid,benzoic acid, p-hydrazino,unii-b1r368je7o,ccris 7911 PubChem CID: 12089 IUPAC Name: 4-hydrazinylbenzoic acid SMILES: C1=CC(=CC=C1C(=O)O)NN

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PubChem CID 12089
CAS 619-67-0
Molecular Weight (g/mol) 152.15
MDL Number MFCD00007581
SMILES C1=CC(=CC=C1C(=O)O)NN
Synonym 4-hydrazinobenzoic acid,p-hydrazinobenzoic acid,benzoic acid, 4-hydrazino,p-carboxyphenylhydrazine,4-carboxyphenyl hydrazine,4-carboxyphenylhydrazine,4-hydrazino benzoic acid,benzoic acid, p-hydrazino,unii-b1r368je7o,ccris 7911
IUPAC Name 4-hydrazinylbenzoic acid
InChI Key PCNFLKVWBDNNOW-UHFFFAOYSA-N
Molecular Formula C7H8N2O2
140

O-Phenylhydroxylamine hydrochloride, 97%

CAS: 6092-80-4 Molecular Formula: C6H7NO·ClH Molecular Weight (g/mol): 145.59 InChI Key: DBTXKJJSFWZJNS-UHFFFAOYSA-N Synonym: o-phenylhydroxylamine hydrochloride,o-phenylhydroxylamine hcl,phenoxyamine hydrochloride,hydroxylamine, o-phenyl-, hydrochloride,acmc-20ak08,n-phenoxyamine hydrochloride,o-phenylhydroxylamne hydrochlorde,o-phenyl-hydroxylamine hydrochloride,o-phenylhydroxylamine hydrochloride at PubChem CID: 6365179 IUPAC Name: O-phenylhydroxylamine;hydrochloride SMILES: C1=CC=C(C=C1)ON.Cl

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PubChem CID 6365179
CAS 6092-80-4
Molecular Weight (g/mol) 145.59
SMILES C1=CC=C(C=C1)ON.Cl
Synonym o-phenylhydroxylamine hydrochloride,o-phenylhydroxylamine hcl,phenoxyamine hydrochloride,hydroxylamine, o-phenyl-, hydrochloride,acmc-20ak08,n-phenoxyamine hydrochloride,o-phenylhydroxylamne hydrochlorde,o-phenyl-hydroxylamine hydrochloride,o-phenylhydroxylamine hydrochloride at
IUPAC Name O-phenylhydroxylamine;hydrochloride
InChI Key DBTXKJJSFWZJNS-UHFFFAOYSA-N
Molecular Formula C6H7NO·ClH
141

2-Methoxy-4-nitrobenzonitrile, 98%, Thermo Scientific™

CAS: 101084-96-2 Molecular Formula: C8H6N2O3 Molecular Weight (g/mol): 178.15 InChI Key: MLIKCKXLGYEGAO-UHFFFAOYSA-N Synonym: 2-cyano-5-nitroanisole,acmc-20a4y1,4-nitro-2-methoxybenzonitrile,2-methoxy-4-nitro-benzonitrile,2-methyloxy-4-nitrobenzonitrile,2-methoxy-4-nitrobenzonitrile PubChem CID: 291867 IUPAC Name: 2-methoxy-4-nitrobenzonitrile SMILES: COC1=C(C=CC(=C1)[N+](=O)[O-])C#N

EDGE
PubChem CID 291867
CAS 101084-96-2
Molecular Weight (g/mol) 178.15
SMILES COC1=C(C=CC(=C1)[N+](=O)[O-])C#N
Synonym 2-cyano-5-nitroanisole,acmc-20a4y1,4-nitro-2-methoxybenzonitrile,2-methoxy-4-nitro-benzonitrile,2-methyloxy-4-nitrobenzonitrile,2-methoxy-4-nitrobenzonitrile
IUPAC Name 2-methoxy-4-nitrobenzonitrile
InChI Key MLIKCKXLGYEGAO-UHFFFAOYSA-N
Molecular Formula C8H6N2O3
142

4,5-Dimethoxy-2-nitrobenzyl bromide, 97%

CAS: 53413-67-5 Molecular Formula: C9H10BrNO4 Molecular Weight (g/mol): 276.09 InChI Key: UEKFEYNZISYRRH-UHFFFAOYSA-N Synonym: 1-bromomethyl-4,5-dimethoxy-2-nitrobenzene,4,5-dimethoxy-2-nitrobenzyl bromide,1-bromomethyl-2-nitro-4,5-dimethoxybenzene,bmndmb,benzene, 1-bromomethyl-4,5-dimethoxy-2-nitro,6-nitroveratryl bromide,acmc-1ao6p,4,5-dimenoxy-2-nitrobenzyl bromide,2-nitro-4,5-dimethoxybenzyl bromide,1-bromomethyl-4,5-dimethoxynitrobenzene PubChem CID: 3016812 IUPAC Name: 1-(bromomethyl)-4,5-dimethoxy-2-nitrobenzene SMILES: COC1=C(C=C(C(=C1)CBr)[N+](=O)[O-])OC

EDGE
PubChem CID 3016812
CAS 53413-67-5
Molecular Weight (g/mol) 276.09
SMILES COC1=C(C=C(C(=C1)CBr)[N+](=O)[O-])OC
Synonym 1-bromomethyl-4,5-dimethoxy-2-nitrobenzene,4,5-dimethoxy-2-nitrobenzyl bromide,1-bromomethyl-2-nitro-4,5-dimethoxybenzene,bmndmb,benzene, 1-bromomethyl-4,5-dimethoxy-2-nitro,6-nitroveratryl bromide,acmc-1ao6p,4,5-dimenoxy-2-nitrobenzyl bromide,2-nitro-4,5-dimethoxybenzyl bromide,1-bromomethyl-4,5-dimethoxynitrobenzene
IUPAC Name 1-(bromomethyl)-4,5-dimethoxy-2-nitrobenzene
InChI Key UEKFEYNZISYRRH-UHFFFAOYSA-N
Molecular Formula C9H10BrNO4
143

2-Amino-3-nitrobenzoic acid, 97%, Thermo Scientific Chemicals

CAS: 606-18-8 Molecular Formula: C7H6N2O4 Molecular Weight (g/mol): 182.13 InChI Key: JJPIVRWTAGQTPQ-UHFFFAOYSA-N Synonym: 2-amino-3-nitrobenzoic acid,3-nitroanthranilic acid,benzoic acid, 2-amino-3-nitro,2-amino-3-nitrobenzonic acid,2-amino-3-nitro-benzoic acid,2-amino-3-nitro benzoic acid,pubchem2233,amino-3-nitrobenzoic acid,2-amino-nitro-benzoesaure,2-carboxy-6-nitroaniline PubChem CID: 219633 SMILES: C1=CC(=C(C(=C1)[N+](=O)[O-])N)C(=O)O

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PubChem CID 219633
CAS 606-18-8
Molecular Weight (g/mol) 182.13
SMILES C1=CC(=C(C(=C1)[N+](=O)[O-])N)C(=O)O
Synonym 2-amino-3-nitrobenzoic acid,3-nitroanthranilic acid,benzoic acid, 2-amino-3-nitro,2-amino-3-nitrobenzonic acid,2-amino-3-nitro-benzoic acid,2-amino-3-nitro benzoic acid,pubchem2233,amino-3-nitrobenzoic acid,2-amino-nitro-benzoesaure,2-carboxy-6-nitroaniline
InChI Key JJPIVRWTAGQTPQ-UHFFFAOYSA-N
Molecular Formula C7H6N2O4
144

Diphenylphosphoryl azide, 98%

CAS: 26386-88-9 Molecular Formula: C12H10N3O3P Molecular Weight (g/mol): 275.20 MDL Number: MFCD00001987 InChI Key: SORGEQQSQGNZFI-UHFFFAOYSA-N Synonym: diphenylphosphoryl azide,diphenyl azidophosphate,diphenylphosphonic azide,diphenyl phosphoryl azide,diphenyl phosphorazidate,phosphorazidic acid, diphenyl ester,azido phenoxy phosphoryl oxy benzene,dppa polymer-bound,diphenylphosphorazidate,unii-gxm91165av PubChem CID: 123414 IUPAC Name: [azido(phenoxy)phosphoryl]oxybenzene SMILES: [N-]=[N+]=NP(=O)(OC1=CC=CC=C1)OC1=CC=CC=C1

EDGE
PubChem CID 123414
CAS 26386-88-9
Molecular Weight (g/mol) 275.20
MDL Number MFCD00001987
SMILES [N-]=[N+]=NP(=O)(OC1=CC=CC=C1)OC1=CC=CC=C1
Synonym diphenylphosphoryl azide,diphenyl azidophosphate,diphenylphosphonic azide,diphenyl phosphoryl azide,diphenyl phosphorazidate,phosphorazidic acid, diphenyl ester,azido phenoxy phosphoryl oxy benzene,dppa polymer-bound,diphenylphosphorazidate,unii-gxm91165av
IUPAC Name [azido(phenoxy)phosphoryl]oxybenzene
InChI Key SORGEQQSQGNZFI-UHFFFAOYSA-N
Molecular Formula C12H10N3O3P
145

4-Hydroxyphthalic acid, 98%

CAS: 610-35-5 Molecular Formula: C8H6O5 Molecular Weight (g/mol): 182.13 InChI Key: MWRVRCAFWBBXTL-UHFFFAOYSA-N Synonym: 1,2-benzenedicarboxylic acid, 4-hydroxy,4-hydroxybenzene-1,2-dicarboxylic acid,4-hydroxy-1,2-benzenedicarboxylic acid,3,4-dicarboxyphenol,4-hydroxy-phthalic acid,acmc-1avol,ksc357m7h,4-hydroxyphthalic acid,4-hydroxy-1,2-benzenedicarboxylicacid,1,2-benzenedicarboxylicacid, 4-hydroxy PubChem CID: 11881 ChEBI: CHEBI:27600 IUPAC Name: 4-hydroxyphthalic acid SMILES: C1=CC(=C(C=C1O)C(=O)O)C(=O)O

EDGE
PubChem CID 11881
CAS 610-35-5
Molecular Weight (g/mol) 182.13
ChEBI CHEBI:27600
SMILES C1=CC(=C(C=C1O)C(=O)O)C(=O)O
Synonym 1,2-benzenedicarboxylic acid, 4-hydroxy,4-hydroxybenzene-1,2-dicarboxylic acid,4-hydroxy-1,2-benzenedicarboxylic acid,3,4-dicarboxyphenol,4-hydroxy-phthalic acid,acmc-1avol,ksc357m7h,4-hydroxyphthalic acid,4-hydroxy-1,2-benzenedicarboxylicacid,1,2-benzenedicarboxylicacid, 4-hydroxy
IUPAC Name 4-hydroxyphthalic acid
InChI Key MWRVRCAFWBBXTL-UHFFFAOYSA-N
Molecular Formula C8H6O5
146

2,4-Dibromoanisole, 98%, Thermo Scientific™

CAS: 21702-84-1 Molecular Formula: C7H6Br2O Molecular Weight (g/mol): 265.92 MDL Number: MFCD00000079 InChI Key: XGXUGXPKRBQINS-UHFFFAOYSA-N Synonym: 2,4-dibromoanisole,benzene, 2,4-dibromo-1-methoxy,benzene,2,4-dibromo-1-methoxy,pubchem3847,acmc-209fnf,maybridge1_003667,chemwish ic06728,2,4-dibromo-1-methoxy-benzene,xgxugxpkrbqins-uhfffaoysa,# PubChem CID: 27011 IUPAC Name: 2,4-dibromo-1-methoxybenzene SMILES: COC1=C(C=C(C=C1)Br)Br

EDGE
PubChem CID 27011
CAS 21702-84-1
Molecular Weight (g/mol) 265.92
MDL Number MFCD00000079
SMILES COC1=C(C=C(C=C1)Br)Br
Synonym 2,4-dibromoanisole,benzene, 2,4-dibromo-1-methoxy,benzene,2,4-dibromo-1-methoxy,pubchem3847,acmc-209fnf,maybridge1_003667,chemwish ic06728,2,4-dibromo-1-methoxy-benzene,xgxugxpkrbqins-uhfffaoysa,#
IUPAC Name 2,4-dibromo-1-methoxybenzene
InChI Key XGXUGXPKRBQINS-UHFFFAOYSA-N
Molecular Formula C7H6Br2O
147

4-bromo-1-fluoro-2-nitrobenzene, 98%

CAS: 364-73-8 Molecular Formula: C6H3BrFNO2 Molecular Weight (g/mol): 220.00 MDL Number: MFCD00129165 InChI Key: UQEANKGXXSENNF-UHFFFAOYSA-N Synonym: 5-bromo-2-fluoronitrobenzene,1-bromo-4-fluoro-3-nitrobenzene,2-fluoro-5-bromonitrobenzene,4-bromo-1-fluoro-2-nitro-benzene,benzene, 4-bromo-1-fluoro-2-nitro,pubchem1046,5-bromo-fluoronitrobenzene,acmc-1cpc6,5-bromo-2-fluronitrobenzene,ksc226i7f PubChem CID: 2736328 IUPAC Name: 4-bromo-1-fluoro-2-nitrobenzene SMILES: [O-][N+](=O)C1=CC(Br)=CC=C1F

EDGE
PubChem CID 2736328
CAS 364-73-8
Molecular Weight (g/mol) 220.00
MDL Number MFCD00129165
SMILES [O-][N+](=O)C1=CC(Br)=CC=C1F
Synonym 5-bromo-2-fluoronitrobenzene,1-bromo-4-fluoro-3-nitrobenzene,2-fluoro-5-bromonitrobenzene,4-bromo-1-fluoro-2-nitro-benzene,benzene, 4-bromo-1-fluoro-2-nitro,pubchem1046,5-bromo-fluoronitrobenzene,acmc-1cpc6,5-bromo-2-fluronitrobenzene,ksc226i7f
IUPAC Name 4-bromo-1-fluoro-2-nitrobenzene
InChI Key UQEANKGXXSENNF-UHFFFAOYSA-N
Molecular Formula C6H3BrFNO2
148

Trityl Tetrakis(pentafluorophenyl)borate, 97%

CAS: 136040-19-2 Molecular Formula: C43H15BF20 Molecular Weight (g/mol): 922.37 MDL Number: MFCD03426981 InChI Key: TZOSNOQHGGONMD-UHFFFAOYSA-N Synonym: triphenylmethylium tetrakis perfluorophenyl borate,trityl tetrakis pentafluorophenyl borate,trityl tetrapentafluorophenyl borate,methylium, triphenyl-, tetrakis pentafluorophenyl borate 1-,triphenylcarbenium tetrakis pentafluorophenyl borate,methylium, triphenyl-, tetrakis 2,3,4,5,6-pentafluorophenyl borate 1-1:1,tetrakis 2,3,4,5,6-pentafluorophenyl boranuide; triphenylmethylium,methylium, triphenyl-, tetrakis pentafluorophenyl borate 1-1:1,tritylium tetrakis pentafluorophenyl borate,triphenylmethyliumtetrakis pentafluorophenyl borate PubChem CID: 9832824 SMILES: C1=CC=C(C=C1)[C+](C1=CC=CC=C1)C1=CC=CC=C1.FC1=C(F)C(F)=C(C(F)=C1F)[B-](C1=C(F)C(F)=C(F)C(F)=C1F)(C1=C(F)C(F)=C(F)C(F)=C1F)C1=C(F)C(F)=C(F)C(F)=C1F

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PubChem CID 9832824
CAS 136040-19-2
Molecular Weight (g/mol) 922.37
MDL Number MFCD03426981
SMILES C1=CC=C(C=C1)[C+](C1=CC=CC=C1)C1=CC=CC=C1.FC1=C(F)C(F)=C(C(F)=C1F)[B-](C1=C(F)C(F)=C(F)C(F)=C1F)(C1=C(F)C(F)=C(F)C(F)=C1F)C1=C(F)C(F)=C(F)C(F)=C1F
Synonym triphenylmethylium tetrakis perfluorophenyl borate,trityl tetrakis pentafluorophenyl borate,trityl tetrapentafluorophenyl borate,methylium, triphenyl-, tetrakis pentafluorophenyl borate 1-,triphenylcarbenium tetrakis pentafluorophenyl borate,methylium, triphenyl-, tetrakis 2,3,4,5,6-pentafluorophenyl borate 1-1:1,tetrakis 2,3,4,5,6-pentafluorophenyl boranuide; triphenylmethylium,methylium, triphenyl-, tetrakis pentafluorophenyl borate 1-1:1,tritylium tetrakis pentafluorophenyl borate,triphenylmethyliumtetrakis pentafluorophenyl borate
InChI Key TZOSNOQHGGONMD-UHFFFAOYSA-N
Molecular Formula C43H15BF20
149

9-Ethynyl-9-fluorenol, Thermo Scientific™

CAS: 13461-74-0 MDL Number: MFCD00041555 InChI Key: MMZVVJGCZZAWBN-UHFFFAOYSA-N Synonym: 9-ethynyl-9-fluorenol,9-ethynyl-9h-fluoren-9-ol,acmc-209bwd,9-ethynyl-9-hydroxyfluorene,9-ethinyl-9-hydroxy-fluorene,9h-fluoren-9-ol,9-ethynyl,9-ethynyl-9h-fluoren-9-ol #,mmzvvjgczzawbn-uhfffaoysa,9-hydroxy-9-fluorenyl acetylene,9-ethynyl-9-fluorenol, PubChem CID: 518771 IUPAC Name: 9-ethynylfluoren-9-ol SMILES: C#CC1(C2=CC=CC=C2C3=CC=CC=C31)O

EDGE
PubChem CID 518771
CAS 13461-74-0
MDL Number MFCD00041555
SMILES C#CC1(C2=CC=CC=C2C3=CC=CC=C31)O
Synonym 9-ethynyl-9-fluorenol,9-ethynyl-9h-fluoren-9-ol,acmc-209bwd,9-ethynyl-9-hydroxyfluorene,9-ethinyl-9-hydroxy-fluorene,9h-fluoren-9-ol,9-ethynyl,9-ethynyl-9h-fluoren-9-ol #,mmzvvjgczzawbn-uhfffaoysa,9-hydroxy-9-fluorenyl acetylene,9-ethynyl-9-fluorenol,
IUPAC Name 9-ethynylfluoren-9-ol
InChI Key MMZVVJGCZZAWBN-UHFFFAOYSA-N
150

4-Bromo-2-fluorobenzyl cyanide, 98+%, Thermo Scientific™

CAS: 114897-91-5 Molecular Formula: C8H5BrFN Molecular Weight (g/mol): 214.04 MDL Number: MFCD07368653 InChI Key: QLASQEZPJFNZQC-UHFFFAOYSA-N Synonym: 4-bromo-2-fluorobenzyl cyanide,2-4-bromo-2-fluorophenyl acetonitrile,4-bromo-2-fluorophenylacetonitrile,2-fluoro-4-bromophenylacetonitrile,benzeneacetonitrile, 4-bromo-2-fluoro,4-bromo-2-fluorophenyl acetonitrile,2-4-bromo-2-fluorophenyl ethanenitrile,4-bromo-2-fluorobenzylcyanide,pubchem10413,acmc-2099lv PubChem CID: 7172308 IUPAC Name: 2-(4-bromo-2-fluorophenyl)acetonitrile SMILES: FC1=CC(Br)=CC=C1CC#N

EDGE
PubChem CID 7172308
CAS 114897-91-5
Molecular Weight (g/mol) 214.04
MDL Number MFCD07368653
SMILES FC1=CC(Br)=CC=C1CC#N
Synonym 4-bromo-2-fluorobenzyl cyanide,2-4-bromo-2-fluorophenyl acetonitrile,4-bromo-2-fluorophenylacetonitrile,2-fluoro-4-bromophenylacetonitrile,benzeneacetonitrile, 4-bromo-2-fluoro,4-bromo-2-fluorophenyl acetonitrile,2-4-bromo-2-fluorophenyl ethanenitrile,4-bromo-2-fluorobenzylcyanide,pubchem10413,acmc-2099lv
IUPAC Name 2-(4-bromo-2-fluorophenyl)acetonitrile
InChI Key QLASQEZPJFNZQC-UHFFFAOYSA-N
Molecular Formula C8H5BrFN