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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 (67,624)
Phenols (13,427)
Naphthalenes (5,064)
Fluorenes (1,235)
Unsubstituted Phenols (1,165)
Thiophenols (617)
Phenol esters (557)
Anthracenes (412)
Phenanthrenes and derivatives (327)
Tetralins (327)
Indanes (313)
Triphenyl compounds (277)
Pyrenes (229)
Dibenzocycloheptenes (62)
Naphthacenes (36)
Ellagic acids and derivatives (33)
Pentacenes (19)
Pentacenequinones (16)
Acenaphthylenes (15)
Perylenequinones (8)
1-hydroxylamino 2-unsubstituted benzenoids (6)

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6,781 – 6,795 of 78,442 results
6,781

1-Bromo-4-hexyloxybenzene 98.0+%, TCI America™

CAS: 30752-19-3 Molecular Formula: C12H17BrO Molecular Weight (g/mol): 257.171 MDL Number: MFCD00173753 InChI Key: GKLMJONYGGTHHM-UHFFFAOYSA-N Synonym: 1-bromo-4-hexyloxy benzene,1-bromo-4-hexyloxybenzene,1-4-bromophenoxy hexane,1-bromo-4-n-hexyloxybenzene,4-n-hexyloxybromobenzene,p-bromophenylhexyl ether,benzene, 1-bromo-4-hexyloxy,p-hexyloxybromobenzene,4-hexyloxybromobenzene,4-bromophenyl hexyl ether PubChem CID: 520492 IUPAC Name: 1-bromo-4-hexoxybenzene SMILES: CCCCCCOC1=CC=C(C=C1)Br

PubChem CID 520492
CAS 30752-19-3
Molecular Weight (g/mol) 257.171
MDL Number MFCD00173753
SMILES CCCCCCOC1=CC=C(C=C1)Br
Synonym 1-bromo-4-hexyloxy benzene,1-bromo-4-hexyloxybenzene,1-4-bromophenoxy hexane,1-bromo-4-n-hexyloxybenzene,4-n-hexyloxybromobenzene,p-bromophenylhexyl ether,benzene, 1-bromo-4-hexyloxy,p-hexyloxybromobenzene,4-hexyloxybromobenzene,4-bromophenyl hexyl ether
IUPAC Name 1-bromo-4-hexoxybenzene
InChI Key GKLMJONYGGTHHM-UHFFFAOYSA-N
Molecular Formula C12H17BrO
6,782

4-Chloro-2-fluorobenzaldehyde 98.0+%, TCI America™

CAS: 61072-56-8 Molecular Formula: C7H4ClFO Molecular Weight (g/mol): 158.556 MDL Number: MFCD00143282 InChI Key: UVGYSEIWAOOIJR-UHFFFAOYSA-N Synonym: 2-fluoro-4-chlorobenzaldehyde,benzaldehyde, 4-chloro-2-fluoro,4-chloranyl-2-fluoranyl-benzaldehyde,pubchem1435,acmc-1b5ai,ksc494c2f,3-fluoro-4-formylchlorobenzene,4-chloro-2-fluoro-benzaldehyde,4-chloro-2-fluoro-benzoaldehyde,timtec-bb sbb003985 PubChem CID: 2724908 IUPAC Name: 4-chloro-2-fluorobenzaldehyde SMILES: C1=CC(=C(C=C1Cl)F)C=O

PubChem CID 2724908
CAS 61072-56-8
Molecular Weight (g/mol) 158.556
MDL Number MFCD00143282
SMILES C1=CC(=C(C=C1Cl)F)C=O
Synonym 2-fluoro-4-chlorobenzaldehyde,benzaldehyde, 4-chloro-2-fluoro,4-chloranyl-2-fluoranyl-benzaldehyde,pubchem1435,acmc-1b5ai,ksc494c2f,3-fluoro-4-formylchlorobenzene,4-chloro-2-fluoro-benzaldehyde,4-chloro-2-fluoro-benzoaldehyde,timtec-bb sbb003985
IUPAC Name 4-chloro-2-fluorobenzaldehyde
InChI Key UVGYSEIWAOOIJR-UHFFFAOYSA-N
Molecular Formula C7H4ClFO
6,783

Ethyl p-Toluate 99.0+%, TCI America™

CAS: 94-08-6 Molecular Formula: C10H12O2 Molecular Weight (g/mol): 164.204 MDL Number: MFCD00009117 InChI Key: NWPWRAWAUYIELB-UHFFFAOYSA-N Synonym: ethyl p-toluate,ethyl p-methylbenzoate,benzoic acid, 4-methyl-, ethyl ester,4-methylbenzoic acid ethyl ester,unii-xuf0sq8l2j,p-toluic acid ethyl ester,xuf0sq8l2j,p-toluic acid, ethyl ester,4-methyl-benzoic acid ethyl ester,ethyl4-methylbenzoate PubChem CID: 66743 IUPAC Name: ethyl 4-methylbenzoate SMILES: CCOC(=O)C1=CC=C(C=C1)C

PubChem CID 66743
CAS 94-08-6
Molecular Weight (g/mol) 164.204
MDL Number MFCD00009117
SMILES CCOC(=O)C1=CC=C(C=C1)C
Synonym ethyl p-toluate,ethyl p-methylbenzoate,benzoic acid, 4-methyl-, ethyl ester,4-methylbenzoic acid ethyl ester,unii-xuf0sq8l2j,p-toluic acid ethyl ester,xuf0sq8l2j,p-toluic acid, ethyl ester,4-methyl-benzoic acid ethyl ester,ethyl4-methylbenzoate
IUPAC Name ethyl 4-methylbenzoate
InChI Key NWPWRAWAUYIELB-UHFFFAOYSA-N
Molecular Formula C10H12O2
6,784

2,6-Dibromobenzaldehyde 98.0+%, TCI America™

CAS: 67713-23-9 Molecular Formula: C7H4Br2O Molecular Weight (g/mol): 263.92 MDL Number: MFCD11040410 InChI Key: YDYNSAUGVGAOLO-UHFFFAOYSA-N PubChem CID: 12648641 IUPAC Name: 2,6-dibromobenzaldehyde SMILES: BrC1=CC=CC(Br)=C1C=O

PubChem CID 12648641
CAS 67713-23-9
Molecular Weight (g/mol) 263.92
MDL Number MFCD11040410
SMILES BrC1=CC=CC(Br)=C1C=O
IUPAC Name 2,6-dibromobenzaldehyde
InChI Key YDYNSAUGVGAOLO-UHFFFAOYSA-N
Molecular Formula C7H4Br2O
6,785

Benzoyl Isothiocyanate 97.0+%, TCI America™

CAS: 532-55-8 Molecular Formula: C8H5NOS Molecular Weight (g/mol): 163.194 MDL Number: MFCD00004815 InChI Key: CPEKAXYCDKETEN-UHFFFAOYSA-N Synonym: benzoylthiocarbimide,benzoylisothiocyanate,benzoylisothiocyante,isothiocyanic acid benzoyl ester,unii-u8j7q32b86,n-benzoyl isothiocyanate,benzoic acid, anhydride with hncs,benzoic acid, anhydride with isothiocyanic acid,oxophenylmethanisothiocyanate,1-benzoyl acetone PubChem CID: 68284 IUPAC Name: benzoyl isothiocyanate SMILES: C1=CC=C(C=C1)C(=O)N=C=S

PubChem CID 68284
CAS 532-55-8
Molecular Weight (g/mol) 163.194
MDL Number MFCD00004815
SMILES C1=CC=C(C=C1)C(=O)N=C=S
Synonym benzoylthiocarbimide,benzoylisothiocyanate,benzoylisothiocyante,isothiocyanic acid benzoyl ester,unii-u8j7q32b86,n-benzoyl isothiocyanate,benzoic acid, anhydride with hncs,benzoic acid, anhydride with isothiocyanic acid,oxophenylmethanisothiocyanate,1-benzoyl acetone
IUPAC Name benzoyl isothiocyanate
InChI Key CPEKAXYCDKETEN-UHFFFAOYSA-N
Molecular Formula C8H5NOS
6,786

Neopentyl Glycol Dibenzoate 98.0+%, TCI America™

CAS: 4196-89-8 Molecular Formula: C19H20O4 Molecular Weight (g/mol): 312.365 MDL Number: MFCD00020674 InChI Key: DYJIIMFHSZKBDY-UHFFFAOYSA-N Synonym: neopentyl glycol dibenzoate,2,2-dimethylpropane-1,3-diyl dibenzoate,unii-jbp9mr90cq,2,2-dimethyl-1,3-propanediol dibenzoate,1,3-propanediol, 2,2-dimethyl-, dibenzoate,jbp9mr90cq,3-benzoyloxy-2,2-dimethylpropyl benzoate,1,3-propanediol, 2,2-dimethyl-, 1,3-dibenzoate,neopentylglycoldibenzoate,2,3-propanediol dibenzoate PubChem CID: 20169 IUPAC Name: (3-benzoyloxy-2,2-dimethylpropyl) benzoate SMILES: CC(C)(COC(=O)C1=CC=CC=C1)COC(=O)C2=CC=CC=C2

PubChem CID 20169
CAS 4196-89-8
Molecular Weight (g/mol) 312.365
MDL Number MFCD00020674
SMILES CC(C)(COC(=O)C1=CC=CC=C1)COC(=O)C2=CC=CC=C2
Synonym neopentyl glycol dibenzoate,2,2-dimethylpropane-1,3-diyl dibenzoate,unii-jbp9mr90cq,2,2-dimethyl-1,3-propanediol dibenzoate,1,3-propanediol, 2,2-dimethyl-, dibenzoate,jbp9mr90cq,3-benzoyloxy-2,2-dimethylpropyl benzoate,1,3-propanediol, 2,2-dimethyl-, 1,3-dibenzoate,neopentylglycoldibenzoate,2,3-propanediol dibenzoate
IUPAC Name (3-benzoyloxy-2,2-dimethylpropyl) benzoate
InChI Key DYJIIMFHSZKBDY-UHFFFAOYSA-N
Molecular Formula C19H20O4
6,787

3-Formylbenzonitrile 98.0+%, TCI America™

CAS: 24964-64-5 Molecular Formula: C8H5NO Molecular Weight (g/mol): 131.134 MDL Number: MFCD00003344 InChI Key: HGZJJKZPPMFIBU-UHFFFAOYSA-N Synonym: 3-cyanobenzaldehyde,m-cyanobenzaldehyde,benzonitrile, 3-formyl,m-formylbenzonitrile,m-cyanobenazldehyde,3-cyano benzaldehyde,3-formyl-benzonitrile,3-formylbenzenecarbonitrile,3cyano-benzaldehyde,m-cyano benzaldehyde PubChem CID: 90670 IUPAC Name: 3-formylbenzonitrile SMILES: C1=CC(=CC(=C1)C=O)C#N

PubChem CID 90670
CAS 24964-64-5
Molecular Weight (g/mol) 131.134
MDL Number MFCD00003344
SMILES C1=CC(=CC(=C1)C=O)C#N
Synonym 3-cyanobenzaldehyde,m-cyanobenzaldehyde,benzonitrile, 3-formyl,m-formylbenzonitrile,m-cyanobenazldehyde,3-cyano benzaldehyde,3-formyl-benzonitrile,3-formylbenzenecarbonitrile,3cyano-benzaldehyde,m-cyano benzaldehyde
IUPAC Name 3-formylbenzonitrile
InChI Key HGZJJKZPPMFIBU-UHFFFAOYSA-N
Molecular Formula C8H5NO
6,788

2-Formylbenzonitrile 99.0+%, TCI America™

CAS: 7468-67-9 Molecular Formula: C8H5NO Molecular Weight (g/mol): 131.13 MDL Number: MFCD00017503 InChI Key: QVTPWONEVZJCCS-UHFFFAOYSA-N Synonym: 2-cyanobenzaldehyde,o-cyanobenzaldehyde,benzonitrile, 2-formyl,cyanobenzaldehyde,2-formylbenzenecarbonitrile,2-cyano-benzaldehyde,2-formyl-benzonitrile,pubchem7409,#,acmc-1blgc PubChem CID: 101209 IUPAC Name: 2-formylbenzonitrile SMILES: O=CC1=CC=CC=C1C#N

PubChem CID 101209
CAS 7468-67-9
Molecular Weight (g/mol) 131.13
MDL Number MFCD00017503
SMILES O=CC1=CC=CC=C1C#N
Synonym 2-cyanobenzaldehyde,o-cyanobenzaldehyde,benzonitrile, 2-formyl,cyanobenzaldehyde,2-formylbenzenecarbonitrile,2-cyano-benzaldehyde,2-formyl-benzonitrile,pubchem7409,#,acmc-1blgc
IUPAC Name 2-formylbenzonitrile
InChI Key QVTPWONEVZJCCS-UHFFFAOYSA-N
Molecular Formula C8H5NO
6,789

2-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)benzaldehyde 97.0+%, TCI America™

CAS: 380151-85-9 Molecular Formula: C13H17BO3 Molecular Weight (g/mol): 232.09 MDL Number: MFCD07363841 InChI Key: SLJMPQLPRHIAOM-UHFFFAOYSA-N Synonym: 2-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl benzaldehyde,2-formylphenylboronic acid pinacol ester,2-formylphenyl boronic acid pinacol ester,2-formylphenylboronic acid, pinacol ester,2-formylbenzeneboronic acid pinacol ester,2-tetramethyl-1,3,2-dioxaborolan-2-yl benzaldehyde,2-2-formylphenyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane,2-4,4,5,5-tetramethyl-1,3,2 dioxaborolan-2-yl-benzaldehyde,amtb063,2-boronobenzaldehyde, pinacol ester PubChem CID: 10977322 IUPAC Name: 2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzaldehyde SMILES: CC1(C)OB(OC1(C)C)C1=CC=CC=C1C=O

PubChem CID 10977322
CAS 380151-85-9
Molecular Weight (g/mol) 232.09
MDL Number MFCD07363841
SMILES CC1(C)OB(OC1(C)C)C1=CC=CC=C1C=O
Synonym 2-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl benzaldehyde,2-formylphenylboronic acid pinacol ester,2-formylphenyl boronic acid pinacol ester,2-formylphenylboronic acid, pinacol ester,2-formylbenzeneboronic acid pinacol ester,2-tetramethyl-1,3,2-dioxaborolan-2-yl benzaldehyde,2-2-formylphenyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane,2-4,4,5,5-tetramethyl-1,3,2 dioxaborolan-2-yl-benzaldehyde,amtb063,2-boronobenzaldehyde, pinacol ester
IUPAC Name 2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzaldehyde
InChI Key SLJMPQLPRHIAOM-UHFFFAOYSA-N
Molecular Formula C13H17BO3
6,790

Diethyl 4,4'-Biphenyldicarboxylate 98.0+%, TCI America™

CAS: 47230-38-6 Molecular Formula: C18H18O4 Molecular Weight (g/mol): 298.34 MDL Number: MFCD00017270 InChI Key: SYTZNHBXNLYWAK-UHFFFAOYSA-N Synonym: diethyl 4,4'-biphenyldicarboxylate,diethyl biphenyl-4,4'-dicarboxylate,diethyl 1,1'-biphenyl-4,4'-dicarboxylate,ethyl 4-4-ethoxycarbonylphenyl benzoate,diethyl-4,4'-diphenyldicarboxylate,diethyl biphenyl 4,4'-dicarboxylate,ethyl 4-4-ethoxycarbonyl phenyl benzoate,4,4'-biphenyldicarboxylic acid diethyl ester,4,4'-diethyl 1,1'-biphenyl-4,4'-dicarboxylate,acmc-1apwf PubChem CID: 261553 IUPAC Name: 4,4'-diethyl [1,1'-biphenyl]-4,4'-dicarboxylate SMILES: CCOC(=O)C1=CC=C(C=C1)C1=CC=C(C=C1)C(=O)OCC

PubChem CID 261553
CAS 47230-38-6
Molecular Weight (g/mol) 298.34
MDL Number MFCD00017270
SMILES CCOC(=O)C1=CC=C(C=C1)C1=CC=C(C=C1)C(=O)OCC
Synonym diethyl 4,4'-biphenyldicarboxylate,diethyl biphenyl-4,4'-dicarboxylate,diethyl 1,1'-biphenyl-4,4'-dicarboxylate,ethyl 4-4-ethoxycarbonylphenyl benzoate,diethyl-4,4'-diphenyldicarboxylate,diethyl biphenyl 4,4'-dicarboxylate,ethyl 4-4-ethoxycarbonyl phenyl benzoate,4,4'-biphenyldicarboxylic acid diethyl ester,4,4'-diethyl 1,1'-biphenyl-4,4'-dicarboxylate,acmc-1apwf
IUPAC Name 4,4'-diethyl [1,1'-biphenyl]-4,4'-dicarboxylate
InChI Key SYTZNHBXNLYWAK-UHFFFAOYSA-N
Molecular Formula C18H18O4
6,791

Tolylene-2,6-diisocyanate 98.0+%, TCI America™

CAS: 91-08-7 Molecular Formula: C9H6N2O2 Molecular Weight (g/mol): 174.159 MDL Number: MFCD00002010 InChI Key: RUELTTOHQODFPA-UHFFFAOYSA-N Synonym: 2,6-diisocyanatotoluene,toluene-2,6-diisocyanate,2,6-toluene diisocyanate,2-methyl-m-phenylene diisocyanate,2,6-tdi,m-tolylene diisocyanate,meta-tolylene diisocyanate,toluene 2,6-diisocyanate,benzene, 1,3-diisocyanato-2-methyl,2,6-diisocyanato-1-methylbenzene PubChem CID: 7040 ChEBI: CHEBI:53557 IUPAC Name: 1,3-diisocyanato-2-methylbenzene SMILES: CC1=C(C=CC=C1N=C=O)N=C=O

PubChem CID 7040
CAS 91-08-7
Molecular Weight (g/mol) 174.159
ChEBI CHEBI:53557
MDL Number MFCD00002010
SMILES CC1=C(C=CC=C1N=C=O)N=C=O
Synonym 2,6-diisocyanatotoluene,toluene-2,6-diisocyanate,2,6-toluene diisocyanate,2-methyl-m-phenylene diisocyanate,2,6-tdi,m-tolylene diisocyanate,meta-tolylene diisocyanate,toluene 2,6-diisocyanate,benzene, 1,3-diisocyanato-2-methyl,2,6-diisocyanato-1-methylbenzene
IUPAC Name 1,3-diisocyanato-2-methylbenzene
InChI Key RUELTTOHQODFPA-UHFFFAOYSA-N
Molecular Formula C9H6N2O2
6,792

9-Fluorenylmethyl Chloroformate 97.0+%, TCI America™

CAS: 28920-43-6 Molecular Formula: C15H11ClO2 Molecular Weight (g/mol): 258.701 MDL Number: MFCD00001138 InChI Key: IRXSLJNXXZKURP-UHFFFAOYSA-N Synonym: 9-fluorenylmethyl chloroformate,fmoc-cl,fmoc-chloride,fmoc chloride,9h-fluoren-9-ylmethyl chloroformate,carbonochloridic acid, 9h-fluoren-9-ylmethyl ester,9-fluorenylmethoxycarbonyl chloride,9-fluorenylmethylchloroformate,9h-fluoren-9-yl methyl carbonochloridate,9h-fluoren-9-ylmethoxy carbonyl chloride PubChem CID: 34367 IUPAC Name: 9H-fluoren-9-ylmethyl carbonochloridate SMILES: C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)Cl

PubChem CID 34367
CAS 28920-43-6
Molecular Weight (g/mol) 258.701
MDL Number MFCD00001138
SMILES C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)Cl
Synonym 9-fluorenylmethyl chloroformate,fmoc-cl,fmoc-chloride,fmoc chloride,9h-fluoren-9-ylmethyl chloroformate,carbonochloridic acid, 9h-fluoren-9-ylmethyl ester,9-fluorenylmethoxycarbonyl chloride,9-fluorenylmethylchloroformate,9h-fluoren-9-yl methyl carbonochloridate,9h-fluoren-9-ylmethoxy carbonyl chloride
IUPAC Name 9H-fluoren-9-ylmethyl carbonochloridate
InChI Key IRXSLJNXXZKURP-UHFFFAOYSA-N
Molecular Formula C15H11ClO2
6,793

3-[(9H-Fluoren-9-ylmethoxy)carbonylamino]-1-propanol 98.0+%, TCI America™

CAS: 157887-82-6 Molecular Formula: C18H19NO3 Molecular Weight (g/mol): 297.35 MDL Number: MFCD00409484 InChI Key: GNXZNUJDAMSJFZ-UHFFFAOYSA-N Synonym: 3-(Fmoc-amino)-1-propanol PubChem CID: 2736488 IUPAC Name: (9H-fluoren-9-yl)methyl N-(3-hydroxypropyl)carbamate SMILES: OCCCNC(=O)OCC1C2=CC=CC=C2C2=CC=CC=C12

PubChem CID 2736488
CAS 157887-82-6
Molecular Weight (g/mol) 297.35
MDL Number MFCD00409484
SMILES OCCCNC(=O)OCC1C2=CC=CC=C2C2=CC=CC=C12
Synonym 3-(Fmoc-amino)-1-propanol
IUPAC Name (9H-fluoren-9-yl)methyl N-(3-hydroxypropyl)carbamate
InChI Key GNXZNUJDAMSJFZ-UHFFFAOYSA-N
Molecular Formula C18H19NO3
6,794

2,3-Benzofluorene 97.0+%, TCI America™

CAS: 243-17-4 Molecular Formula: C17H12 Molecular Weight (g/mol): 216.28 MDL Number: MFCD00003595 InChI Key: HAPOJKSPCGLOOD-UHFFFAOYSA-N Synonym: 2,3-benzofluorene,11h-benzo b fluorene,benzo b fluorene,unii-gmo75ruy0l,2,3-benzfluorene,gmo75ruy0l,11h-benzo b fluorene # PubChem CID: 9201 ChEBI: CHEBI:34566 IUPAC Name: 11H-benzo[b]fluorene SMILES: C1C2=CC=CC=C2C2=C1C=C1C=CC=CC1=C2

PubChem CID 9201
CAS 243-17-4
Molecular Weight (g/mol) 216.28
ChEBI CHEBI:34566
MDL Number MFCD00003595
SMILES C1C2=CC=CC=C2C2=C1C=C1C=CC=CC1=C2
Synonym 2,3-benzofluorene,11h-benzo b fluorene,benzo b fluorene,unii-gmo75ruy0l,2,3-benzfluorene,gmo75ruy0l,11h-benzo b fluorene #
IUPAC Name 11H-benzo[b]fluorene
InChI Key HAPOJKSPCGLOOD-UHFFFAOYSA-N
Molecular Formula C17H12
6,795

4-Bromo-9,9-dimethylfluorene 98.0+%, TCI America™

CAS: 942615-32-9 Molecular Formula: C15H13Br Molecular Weight (g/mol): 273.173 MDL Number: MFCD23099415 InChI Key: SXOUNESKHJIXNK-UHFFFAOYSA-N Synonym: 4-bromo-9,9-dimethyl-9h-fluorene,4-bromo-9,9-dimethyl fluorene,4-bromo-9,9-dimethyl-fluorene PubChem CID: 59182836 IUPAC Name: 4-bromo-9,9-dimethylfluorene SMILES: CC1(C2=C(C3=CC=CC=C31)C(=CC=C2)Br)C

PubChem CID 59182836
CAS 942615-32-9
Molecular Weight (g/mol) 273.173
MDL Number MFCD23099415
SMILES CC1(C2=C(C3=CC=CC=C31)C(=CC=C2)Br)C
Synonym 4-bromo-9,9-dimethyl-9h-fluorene,4-bromo-9,9-dimethyl fluorene,4-bromo-9,9-dimethyl-fluorene
IUPAC Name 4-bromo-9,9-dimethylfluorene
InChI Key SXOUNESKHJIXNK-UHFFFAOYSA-N
Molecular Formula C15H13Br