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.

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7,321 – 7,335 of 105,714 results

7,321

4-Nitrobenzenesulfonamide 98.0+%, TCI America™

CAS: 6325-93-5 Molecular Formula: C6H6N2O4S Molecular Weight (g/mol): 202.18 MDL Number: MFCD00007937 InChI Key: QWKKYJLAUWFPDB-UHFFFAOYSA-N Synonym: benzenesulfonamide, 4-nitro,p-nitrobenzenesulfonamide,4-nitrobenzolesulfamide,p-nitrophenylsulfonamide,4-nitrobenzenesulphonamide,benzenesulfonamide, p-nitro,4-nitro-benzenesulfonamide,unii-tuf52o8y8b,tuf52o8y8b,4-nitrobenzene-1-sulfonamide PubChem CID: 22784 IUPAC Name: 4-nitrobenzene-1-sulfonamide SMILES: NS(=O)(=O)C1=CC=C(C=C1)[N+]([O-])=O

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Specifications

PubChem CID	22784
CAS	6325-93-5
Molecular Weight (g/mol)	202.18
MDL Number	MFCD00007937
SMILES	NS(=O)(=O)C1=CC=C(C=C1)[N+]([O-])=O
Synonym	benzenesulfonamide, 4-nitro,p-nitrobenzenesulfonamide,4-nitrobenzolesulfamide,p-nitrophenylsulfonamide,4-nitrobenzenesulphonamide,benzenesulfonamide, p-nitro,4-nitro-benzenesulfonamide,unii-tuf52o8y8b,tuf52o8y8b,4-nitrobenzene-1-sulfonamide
IUPAC Name	4-nitrobenzene-1-sulfonamide
InChI Key	QWKKYJLAUWFPDB-UHFFFAOYSA-N
Molecular Formula	C6H6N2O4S

7,322

1,4-Di(1-pyrenyl)benzene 98.0+%, TCI America™

CAS: 475460-77-6 Molecular Formula: C38H22 Molecular Weight (g/mol): 478.594 MDL Number: MFCD12022457 InChI Key: IJJYNFWMKNYNEW-UHFFFAOYSA-N Synonym: 1,1′C-(1,4-Phenylene)bispyrene PubChem CID: 23530003 IUPAC Name: 1-(4-pyren-1-ylphenyl)pyrene SMILES: C1=CC2=C3C(=C1)C=CC4=C(C=CC(=C43)C=C2)C5=CC=C(C=C5)C6=C7C=CC8=CC=CC9=C8C7=C(C=C9)C=C6

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Specifications

PubChem CID	23530003
CAS	475460-77-6
Molecular Weight (g/mol)	478.594
MDL Number	MFCD12022457
SMILES	C1=CC2=C3C(=C1)C=CC4=C(C=CC(=C43)C=C2)C5=CC=C(C=C5)C6=C7C=CC8=CC=CC9=C8C7=C(C=C9)C=C6
Synonym	1,1′C-(1,4-Phenylene)bispyrene
IUPAC Name	1-(4-pyren-1-ylphenyl)pyrene
InChI Key	IJJYNFWMKNYNEW-UHFFFAOYSA-N
Molecular Formula	C38H22

7,323

2-(Trifluoromethoxy)phenol 96.0+%, TCI America™

CAS: 32858-93-8 Molecular Formula: C7H5F3O2 Molecular Weight (g/mol): 178.11 MDL Number: MFCD00236324 InChI Key: GQWMNVOVQZIPJC-UHFFFAOYSA-N Synonym: 2-trifluoromethoxy phenol,2-trifluorormethoxy phenol,2-hydroxyphenyl trifluoromethyl ether,o-trifluoromethoxyphenol,2-trifluormethoxy phenol,trifluoromethoxyphenol,phenol, 2-trifluoromethoxy,trifluoromethoxy phenol,acmc-1cmde PubChem CID: 2777299 IUPAC Name: 2-(trifluoromethoxy)phenol SMILES: C1=CC=C(C(=C1)O)OC(F)(F)F

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Specifications

PubChem CID	2777299
CAS	32858-93-8
Molecular Weight (g/mol)	178.11
MDL Number	MFCD00236324
SMILES	C1=CC=C(C(=C1)O)OC(F)(F)F
Synonym	2-trifluoromethoxy phenol,2-trifluorormethoxy phenol,2-hydroxyphenyl trifluoromethyl ether,o-trifluoromethoxyphenol,2-trifluormethoxy phenol,trifluoromethoxyphenol,phenol, 2-trifluoromethoxy,trifluoromethoxy phenol,acmc-1cmde
IUPAC Name	2-(trifluoromethoxy)phenol
InChI Key	GQWMNVOVQZIPJC-UHFFFAOYSA-N
Molecular Formula	C7H5F3O2

7,324

3-Bromobenzylamine 98.0+%, TCI America™

CAS: 10269-01-9 Molecular Formula: C7H8BrN Molecular Weight (g/mol): 186.052 MDL Number: MFCD01026119 InChI Key: SUYJXERPRICYRX-UHFFFAOYSA-N Synonym: 3-bromobenzylamine,3-bromophenyl methanamine,benzenemethanamine, 3-bromo,3-bromophenyl methylamine,m-bromobenzylamine,1-3-bromophenyl methanamine,3-bromo-benzylamine,3-bromobenzenemethanamine,3-bromobenzyl amine,pubchem21109 PubChem CID: 457587 IUPAC Name: (3-bromophenyl)methanamine SMILES: C1=CC(=CC(=C1)Br)CN

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Specifications

PubChem CID	457587
CAS	10269-01-9
Molecular Weight (g/mol)	186.052
MDL Number	MFCD01026119
SMILES	C1=CC(=CC(=C1)Br)CN
Synonym	3-bromobenzylamine,3-bromophenyl methanamine,benzenemethanamine, 3-bromo,3-bromophenyl methylamine,m-bromobenzylamine,1-3-bromophenyl methanamine,3-bromo-benzylamine,3-bromobenzenemethanamine,3-bromobenzyl amine,pubchem21109
IUPAC Name	(3-bromophenyl)methanamine
InChI Key	SUYJXERPRICYRX-UHFFFAOYSA-N
Molecular Formula	C7H8BrN

7,325

Anthraquinone-2,3-dicarboxylic Acid 98.0+%, TCI America™

CAS: 27485-15-0 Molecular Formula: C16H8O6 Molecular Weight (g/mol): 296.23 MDL Number: MFCD00087537 InChI Key: PSHVQIKBLXBIQJ-UHFFFAOYSA-N PubChem CID: 3678091 IUPAC Name: 9,10-dioxo-9,10-dihydroanthracene-2,3-dicarboxylic acid SMILES: OC(=O)C1=C(C=C2C(=O)C3=CC=CC=C3C(=O)C2=C1)C(O)=O

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Specifications

PubChem CID	3678091
CAS	27485-15-0
Molecular Weight (g/mol)	296.23
MDL Number	MFCD00087537
SMILES	OC(=O)C1=C(C=C2C(=O)C3=CC=CC=C3C(=O)C2=C1)C(O)=O
IUPAC Name	9,10-dioxo-9,10-dihydroanthracene-2,3-dicarboxylic acid
InChI Key	PSHVQIKBLXBIQJ-UHFFFAOYSA-N
Molecular Formula	C16H8O6

7,326

3-Fluorobenzyl Chloride 95.0+%, TCI America™

CAS: 456-42-8 Molecular Formula: C7H6ClF Molecular Weight (g/mol): 144.573 MDL Number: MFCD00000904 InChI Key: XBDXMDVEZLOGMC-UHFFFAOYSA-N Synonym: 3-fluorobenzyl chloride,1-chloromethyl-3-fluorobenzene,m-fluorobenzyl chloride,benzene, 1-chloromethyl-3-fluoro,3-fluorobenzylchloride,alpha-chloro-3-fluorotoluene,alpha-chloro-m-fluorotoluene,fluorobenzyl-3 chloride,toluene, .alpha.-chloro-m-fluoro,.alpha.-chloro-m-fluorotoluene PubChem CID: 9974 IUPAC Name: 1-(chloromethyl)-3-fluorobenzene SMILES: C1=CC(=CC(=C1)F)CCl

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Specifications

PubChem CID	9974
CAS	456-42-8
Molecular Weight (g/mol)	144.573
MDL Number	MFCD00000904
SMILES	C1=CC(=CC(=C1)F)CCl
Synonym	3-fluorobenzyl chloride,1-chloromethyl-3-fluorobenzene,m-fluorobenzyl chloride,benzene, 1-chloromethyl-3-fluoro,3-fluorobenzylchloride,alpha-chloro-3-fluorotoluene,alpha-chloro-m-fluorotoluene,fluorobenzyl-3 chloride,toluene, .alpha.-chloro-m-fluoro,.alpha.-chloro-m-fluorotoluene
IUPAC Name	1-(chloromethyl)-3-fluorobenzene
InChI Key	XBDXMDVEZLOGMC-UHFFFAOYSA-N
Molecular Formula	C7H6ClF

7,327

1-Chloro-2-methyl-2-phenylpropane 98.0+%, TCI America™

CAS: 515-40-2 Molecular Formula: C10H13Cl Molecular Weight (g/mol): 168.66 MDL Number: MFCD00000940 InChI Key: DNXXUUPUQXSUFH-UHFFFAOYSA-N Synonym: neophyl chloride,1-chloro-2-methyl-2-phenylpropane,1-chloro-2-methylpropan-2-yl benzene,benzene, 2-chloro-1,1-dimethylethyl,2-methyl-2-phenylpropyl chloride,neophylchloride,2-chloro-1,1-dimethylethyl benzene,unii-of6e0410nf,beta-chloro-tert-butylbenzene,2-chloromethyl-2-phenylpropane PubChem CID: 68191 IUPAC Name: (1-chloro-2-methylpropan-2-yl)benzene SMILES: CC(C)(CCl)C1=CC=CC=C1

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Specifications

PubChem CID	68191
CAS	515-40-2
Molecular Weight (g/mol)	168.66
MDL Number	MFCD00000940
SMILES	CC(C)(CCl)C1=CC=CC=C1
Synonym	neophyl chloride,1-chloro-2-methyl-2-phenylpropane,1-chloro-2-methylpropan-2-yl benzene,benzene, 2-chloro-1,1-dimethylethyl,2-methyl-2-phenylpropyl chloride,neophylchloride,2-chloro-1,1-dimethylethyl benzene,unii-of6e0410nf,beta-chloro-tert-butylbenzene,2-chloromethyl-2-phenylpropane
IUPAC Name	(1-chloro-2-methylpropan-2-yl)benzene
InChI Key	DNXXUUPUQXSUFH-UHFFFAOYSA-N
Molecular Formula	C10H13Cl

7,328

3-(Methylaminomethyl)benzonitrile 98.0+%, TCI America™

CAS: 90389-96-1 Molecular Formula: C9H10N2 Molecular Weight (g/mol): 146.19 MDL Number: MFCD09731650 InChI Key: KBRCDVSFCMVQSN-UHFFFAOYSA-N Synonym: 3-methylamino methyl benzonitrile,3-methylaminomethyl benzonitrile,3-methylaminomethyl-benzonitrile,benzonitrile, 3-methylamino methyl,3-methylamino methyl-benzonitrile,3-cyano-n-methylbenzylamine,n-methyl-n-3-cyanobenzyl amine PubChem CID: 457595 IUPAC Name: 3-[(methylamino)methyl]benzonitrile SMILES: CNCC1=CC=CC(=C1)C#N

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Specifications

PubChem CID	457595
CAS	90389-96-1
Molecular Weight (g/mol)	146.19
MDL Number	MFCD09731650
SMILES	CNCC1=CC=CC(=C1)C#N
Synonym	3-methylamino methyl benzonitrile,3-methylaminomethyl benzonitrile,3-methylaminomethyl-benzonitrile,benzonitrile, 3-methylamino methyl,3-methylamino methyl-benzonitrile,3-cyano-n-methylbenzylamine,n-methyl-n-3-cyanobenzyl amine
IUPAC Name	3-[(methylamino)methyl]benzonitrile
InChI Key	KBRCDVSFCMVQSN-UHFFFAOYSA-N
Molecular Formula	C9H10N2

7,329

6,13-Pentacenedione 95.0+%, TCI America™

CAS: 3029-32-1 Molecular Formula: C22H12O2 Molecular Weight (g/mol): 308.336 MDL Number: MFCD00003709 InChI Key: UFCVADNIXDUEFZ-UHFFFAOYSA-N Synonym: 6,13-pentacenequinone,6,13-pentacenedione,acmc-209hec,ufcvadnixduefz-uhfffaoysa PubChem CID: 76415 IUPAC Name: pentacene-6,13-dione SMILES: C1=CC=C2C=C3C(=CC2=C1)C(=O)C4=CC5=CC=CC=C5C=C4C3=O

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Specifications

PubChem CID	76415
CAS	3029-32-1
Molecular Weight (g/mol)	308.336
MDL Number	MFCD00003709
SMILES	C1=CC=C2C=C3C(=CC2=C1)C(=O)C4=CC5=CC=CC=C5C=C4C3=O
Synonym	6,13-pentacenequinone,6,13-pentacenedione,acmc-209hec,ufcvadnixduefz-uhfffaoysa
IUPAC Name	pentacene-6,13-dione
InChI Key	UFCVADNIXDUEFZ-UHFFFAOYSA-N
Molecular Formula	C22H12O2

7,330

4-Amino-2,3-xylenol 98.0+%, TCI America™

CAS: 3096-69-3 Molecular Formula: C8H11NO Molecular Weight (g/mol): 137.182 MDL Number: MFCD00070554 InChI Key: UBKPLLYABUUFCE-UHFFFAOYSA-N Synonym: 4-Amino-2,3-dimethylphenol, 4-Hydroxy-2,3-dimethylaniline PubChem CID: 76542 IUPAC Name: 4-amino-2,3-dimethylphenol SMILES: CC1=C(C=CC(=C1C)O)N

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Specifications

PubChem CID	76542
CAS	3096-69-3
Molecular Weight (g/mol)	137.182
MDL Number	MFCD00070554
SMILES	CC1=C(C=CC(=C1C)O)N
Synonym	4-Amino-2,3-dimethylphenol, 4-Hydroxy-2,3-dimethylaniline
IUPAC Name	4-amino-2,3-dimethylphenol
InChI Key	UBKPLLYABUUFCE-UHFFFAOYSA-N
Molecular Formula	C8H11NO

7,331

4-(Methylsulfonyl)phenylacetic Acid 98.0+%, TCI America™

CAS: 90536-66-6 Molecular Formula: C9H10O4S Molecular Weight (g/mol): 214.235 MDL Number: MFCD00216495 InChI Key: HGGWOSYNRVOQJH-UHFFFAOYSA-N Synonym: 4-methylsulfonyl phenylacetic acid,4-methylsulphonylphenylacetic acid,2-4-methylsulfonyl phenyl acetic acid,4-mesylphenylacetic acid,4-methanesulfonylphenyl acetic acid,4-methylsulfonyl phenyl acetic acid,4-methanesulfonyl phenylacetic acid,2-4-methanesulfonylphenyl acetic acid,4-methylsulfonylphenylacetic acid PubChem CID: 572345 IUPAC Name: 2-(4-methylsulfonylphenyl)acetic acid SMILES: CS(=O)(=O)C1=CC=C(C=C1)CC(=O)O

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Specifications

PubChem CID	572345
CAS	90536-66-6
Molecular Weight (g/mol)	214.235
MDL Number	MFCD00216495
SMILES	CS(=O)(=O)C1=CC=C(C=C1)CC(=O)O
Synonym	4-methylsulfonyl phenylacetic acid,4-methylsulphonylphenylacetic acid,2-4-methylsulfonyl phenyl acetic acid,4-mesylphenylacetic acid,4-methanesulfonylphenyl acetic acid,4-methylsulfonyl phenyl acetic acid,4-methanesulfonyl phenylacetic acid,2-4-methanesulfonylphenyl acetic acid,4-methylsulfonylphenylacetic acid
IUPAC Name	2-(4-methylsulfonylphenyl)acetic acid
InChI Key	HGGWOSYNRVOQJH-UHFFFAOYSA-N
Molecular Formula	C9H10O4S

7,332

2-Bromo-4-(trifluoromethyl)benzoic Acid 98.0+%, TCI America™

CAS: 328-89-2 Molecular Formula: C8H4BrF3O2 Molecular Weight (g/mol): 269.017 MDL Number: MFCD07368837 InChI Key: SINIIFNWZPCJGU-UHFFFAOYSA-N Synonym: 2-bromo-4-trifluoromethyl benzoic acid,3-bromo-4-carboxybenzotrifluoride,benzoic acid, 2-bromo-4-trifluoromethyl,2-bromo-4-trifluoromethyl-benzoic acid,2-bromo-4-trifluoromethylbenzoicacid,pubchem3184,acmc-209hwv,ksc495g8h,2-bromo-4-trifluoromethyl-benzoic acid;2-brom-4-trifluormethyl-benzoesaeure;2-bromo-4-trifluoromethylbenzoic acid;2-brom-4-trifluormethylbenzolsaure; PubChem CID: 67605 IUPAC Name: 2-bromo-4-(trifluoromethyl)benzoic acid SMILES: C1=CC(=C(C=C1C(F)(F)F)Br)C(=O)O

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Specifications

PubChem CID	67605
CAS	328-89-2
Molecular Weight (g/mol)	269.017
MDL Number	MFCD07368837
SMILES	C1=CC(=C(C=C1C(F)(F)F)Br)C(=O)O
Synonym	2-bromo-4-trifluoromethyl benzoic acid,3-bromo-4-carboxybenzotrifluoride,benzoic acid, 2-bromo-4-trifluoromethyl,2-bromo-4-trifluoromethyl-benzoic acid,2-bromo-4-trifluoromethylbenzoicacid,pubchem3184,acmc-209hwv,ksc495g8h,2-bromo-4-trifluoromethyl-benzoic acid;2-brom-4-trifluormethyl-benzoesaeure;2-bromo-4-trifluoromethylbenzoic acid;2-brom-4-trifluormethylbenzolsaure;
IUPAC Name	2-bromo-4-(trifluoromethyl)benzoic acid
InChI Key	SINIIFNWZPCJGU-UHFFFAOYSA-N
Molecular Formula	C8H4BrF3O2

7,333

8-Anilino-1-naphthalenesulfonic Acid 95.0+%, TCI America™

CAS: 82-76-8 Molecular Formula: C16H13NO3S Molecular Weight (g/mol): 299.344 MDL Number: MFCD00003998 InChI Key: FWEOQOXTVHGIFQ-UHFFFAOYSA-N Synonym: 8-anilino-1-naphthalenesulfonic acid,phenylperi acid,n-phenyl peri acid,8-phenylamino naphthalene-1-sulfonic acid,1-anilino-8-naphthalenesulfonate,1-anilino-8-naphthalenesulfonic acid,peri acid, phenyl,1-naphthalenesulfonic acid, 8-phenylamino,1-anilinonaphthalene-8-sulfonic acid,8-anilino-1-naphthalene sulfonic acid PubChem CID: 1369 ChEBI: CHEBI:39708 IUPAC Name: 8-anilinonaphthalene-1-sulfonic acid SMILES: C1=CC=C(C=C1)NC2=CC=CC3=C2C(=CC=C3)S(=O)(=O)O

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Specifications

PubChem CID	1369
CAS	82-76-8
Molecular Weight (g/mol)	299.344
ChEBI	CHEBI:39708
MDL Number	MFCD00003998
SMILES	C1=CC=C(C=C1)NC2=CC=CC3=C2C(=CC=C3)S(=O)(=O)O
Synonym	8-anilino-1-naphthalenesulfonic acid,phenylperi acid,n-phenyl peri acid,8-phenylamino naphthalene-1-sulfonic acid,1-anilino-8-naphthalenesulfonate,1-anilino-8-naphthalenesulfonic acid,peri acid, phenyl,1-naphthalenesulfonic acid, 8-phenylamino,1-anilinonaphthalene-8-sulfonic acid,8-anilino-1-naphthalene sulfonic acid
IUPAC Name	8-anilinonaphthalene-1-sulfonic acid
InChI Key	FWEOQOXTVHGIFQ-UHFFFAOYSA-N
Molecular Formula	C16H13NO3S

7,334

(S)-(-)-2-Amino-2'-hydroxy-1,1'-binaphthyl 98.0+%, TCI America™

CAS: 137848-29-4 Molecular Formula: C20H15NO Molecular Weight (g/mol): 285.346 MDL Number: MFCD01882346 InChI Key: HIXQCPGXQVQHJP-UHFFFAOYSA-N Synonym: (S)-(-)-1-(2-Amino-1-naphthyl)-2-naphthol, (S)-(-)-NOBIN, (S)-(-)-2′C-Amino-1,1′C-binaphthalen-2-ol PubChem CID: 3617797 IUPAC Name: 1-(2-aminonaphthalen-1-yl)naphthalen-2-ol SMILES: C1=CC=C2C(=C1)C=CC(=C2C3=C(C=CC4=CC=CC=C43)O)N

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Specifications

PubChem CID	3617797
CAS	137848-29-4
Molecular Weight (g/mol)	285.346
MDL Number	MFCD01882346
SMILES	C1=CC=C2C(=C1)C=CC(=C2C3=C(C=CC4=CC=CC=C43)O)N
Synonym	(S)-(-)-1-(2-Amino-1-naphthyl)-2-naphthol, (S)-(-)-NOBIN, (S)-(-)-2′C-Amino-1,1′C-binaphthalen-2-ol
IUPAC Name	1-(2-aminonaphthalen-1-yl)naphthalen-2-ol
InChI Key	HIXQCPGXQVQHJP-UHFFFAOYSA-N
Molecular Formula	C20H15NO

7,335

(S)-1-[3,5-Bis(trifluoromethyl)phenyl]ethanol 98.0+%, TCI America™

CAS: 225920-05-8 Molecular Formula: C10H8F6O Molecular Weight (g/mol): 258.163 MDL Number: MFCD03093010 InChI Key: MMSCIQKQJVBPIR-YFKPBYRVSA-N Synonym: (S)-1-[3,5-Bis(trifluoromethyl)phenyl]ethyl Alcohol, (S)-3,5-Bis(trifluoromethyl)-alpha-methylbenzyl Alcohol PubChem CID: 9816575 IUPAC Name: (1S)-1-[3,5-bis(trifluoromethyl)phenyl]ethanol SMILES: CC(C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F)O

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Specifications

PubChem CID	9816575
CAS	225920-05-8
Molecular Weight (g/mol)	258.163
MDL Number	MFCD03093010
SMILES	CC(C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F)O
Synonym	(S)-1-[3,5-Bis(trifluoromethyl)phenyl]ethyl Alcohol, (S)-3,5-Bis(trifluoromethyl)-alpha-methylbenzyl Alcohol
IUPAC Name	(1S)-1-[3,5-bis(trifluoromethyl)phenyl]ethanol
InChI Key	MMSCIQKQJVBPIR-YFKPBYRVSA-N
Molecular Formula	C10H8F6O

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