Benzene and substituted derivatives

Benzene is an aromatic organic molecule composed of six carbon atoms and six hydrogen atoms that form a ring. Includes substituted derivative compounds.

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Triphenylphosphine dibromide, ca. 33% bromine

CAS: 1034-39-5 Molecular Formula: C18H15Br2P Molecular Weight (g/mol): 422.10 MDL Number: MFCD00000054 InChI Key: OCXGTPDKNBIOTF-UHFFFAOYSA-N Synonym: dibromotriphenylphosphorane,phosphorane, dibromotriphenyl,triphenyldibromophosphorane,unii-7y0j6r63jd,bromotriphenylphosphonium bromide,dibromotriphenyl-??-phosphane,dibromotriphenylphosphine,dibromtriphenylphosphorane,triphenylphosphinedibromide,dibromo triphenylphosphorane PubChem CID: 70579 IUPAC Name: dibromo(triphenyl)-$l^{5}-phosphane SMILES: BrP(Br)(C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1

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Specifications

PubChem CID	70579
CAS	1034-39-5
Molecular Weight (g/mol)	422.10
MDL Number	MFCD00000054
SMILES	BrP(Br)(C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1
Synonym	dibromotriphenylphosphorane,phosphorane, dibromotriphenyl,triphenyldibromophosphorane,unii-7y0j6r63jd,bromotriphenylphosphonium bromide,dibromotriphenyl-??-phosphane,dibromotriphenylphosphine,dibromtriphenylphosphorane,triphenylphosphinedibromide,dibromo triphenylphosphorane
IUPAC Name	dibromo(triphenyl)-$l^{5}-phosphane
InChI Key	OCXGTPDKNBIOTF-UHFFFAOYSA-N
Molecular Formula	C18H15Br2P

Benzyltriphenylphosphonium bromide, 98%

CAS: 1449-46-3 Molecular Formula: C25H22BrP Molecular Weight (g/mol): 433.33 MDL Number: MFCD00031707 InChI Key: WTEPWWCRWNCUNA-UHFFFAOYSA-M Synonym: benzyltriphenylphosphonium bromide,bromo benzyl triphenylphosphorane,benzyltriphenylphosphanium bromide,phenylmethyl triphenylphosphonium bromide,benzyl triphenylphosphonium bromide,benzyl triphenyl phosphonium bromide,phosphonium, triphenyl phenylmethyl-, bromide,acmc-1ch0e,ksc491k3n PubChem CID: 2734970 IUPAC Name: benzyl(triphenyl)phosphanium;bromide SMILES: [Br-].C(C1=CC=CC=C1)[P+](C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1

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Specifications

PubChem CID	2734970
CAS	1449-46-3
Molecular Weight (g/mol)	433.33
MDL Number	MFCD00031707
SMILES	[Br-].C(C1=CC=CC=C1)[P+](C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1
Synonym	benzyltriphenylphosphonium bromide,bromo benzyl triphenylphosphorane,benzyltriphenylphosphanium bromide,phenylmethyl triphenylphosphonium bromide,benzyl triphenylphosphonium bromide,benzyl triphenyl phosphonium bromide,phosphonium, triphenyl phenylmethyl-, bromide,acmc-1ch0e,ksc491k3n
IUPAC Name	benzyl(triphenyl)phosphanium;bromide
InChI Key	WTEPWWCRWNCUNA-UHFFFAOYSA-M
Molecular Formula	C25H22BrP

Allyltriphenylphosphonium bromide, 99%

CAS: 1560-54-9 Molecular Formula: C21H20BrP Molecular Weight (g/mol): 383.27 MDL Number: MFCD00011808 InChI Key: FWYKRJUVEOBFGH-UHFFFAOYSA-M Synonym: allyltriphenylphosphonium bromide,triphenyl allylphosphonium bromide,phosphonium, triphenyl-2-propenyl-, bromide,allyl triphenylphosphonium bromide,phosphonium, allyltriphenyl-, bromide,allyltriphenylphosphonium bromide tal,triphenyl prop-2-enyl phosphanium bromide,2-propenyltriphenylphosphonium bromide,triphenyl prop-2-en-1-yl phosphanium bromide,wln: 1u2pr&r&r &e PubChem CID: 197740 IUPAC Name: triphenyl(prop-2-enyl)phosphanium;bromide SMILES: [Br-].C=CC[P+](C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1

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Specifications

PubChem CID	197740
CAS	1560-54-9
Molecular Weight (g/mol)	383.27
MDL Number	MFCD00011808
SMILES	[Br-].C=CC[P+](C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1
Synonym	allyltriphenylphosphonium bromide,triphenyl allylphosphonium bromide,phosphonium, triphenyl-2-propenyl-, bromide,allyl triphenylphosphonium bromide,phosphonium, allyltriphenyl-, bromide,allyltriphenylphosphonium bromide tal,triphenyl prop-2-enyl phosphanium bromide,2-propenyltriphenylphosphonium bromide,triphenyl prop-2-en-1-yl phosphanium bromide,wln: 1u2pr&r&r &e
IUPAC Name	triphenyl(prop-2-enyl)phosphanium;bromide
InChI Key	FWYKRJUVEOBFGH-UHFFFAOYSA-M
Molecular Formula	C21H20BrP

Methyltriphenylphosphonium bromide, 98+%

CAS: 1779-49-3 Molecular Formula: C19H18BrP Molecular Weight (g/mol): 357.23 MDL Number: MFCD00011804 InChI Key: LSEFCHWGJNHZNT-UHFFFAOYSA-M Synonym: methyltriphenylphosphonium bromide,methyltriphenylphosphanium bromide,triphenylmethylphosphonium bromide,methyl triphenylphosphonium bromide,methyl triphenyl phosphonium bromide,phosphonium, methyltriphenyl-, bromide,methyltriphenylphosphoniumbromide,methyl-triphenyl-phosphonium bromide PubChem CID: 74505 IUPAC Name: methyl(triphenyl)phosphanium;bromide SMILES: [Br-].C[P+](C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1

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Specifications

PubChem CID	74505
CAS	1779-49-3
Molecular Weight (g/mol)	357.23
MDL Number	MFCD00011804
SMILES	[Br-].C[P+](C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1
Synonym	methyltriphenylphosphonium bromide,methyltriphenylphosphanium bromide,triphenylmethylphosphonium bromide,methyl triphenylphosphonium bromide,methyl triphenyl phosphonium bromide,phosphonium, methyltriphenyl-, bromide,methyltriphenylphosphoniumbromide,methyl-triphenyl-phosphonium bromide
IUPAC Name	methyl(triphenyl)phosphanium;bromide
InChI Key	LSEFCHWGJNHZNT-UHFFFAOYSA-M
Molecular Formula	C19H18BrP

Ethyltriphenylphosphonium bromide, 98+%

CAS: 1530-32-1 Molecular Formula: C20H20BrP Molecular Weight (g/mol): 371.26 MDL Number: MFCD00011838 InChI Key: JHYNXXDQQHTCHJ-UHFFFAOYSA-M Synonym: ethyltriphenylphosphonium bromide,ethyl triphenyl phosphonium bromide,triphenylethylphosphonium bromide,phosphonium, ethyltriphenyl-, bromide,ethyltriphenylphosphanium bromide,ethyl triphenylphosphonium bromide,unii-r85v84ul5v,ethyltriphenylphosphoniumbromide,guaifenesin powder,pubchem18705 PubChem CID: 73727 SMILES: [Br-].CC[P+](C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1

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Specifications

PubChem CID	73727
CAS	1530-32-1
Molecular Weight (g/mol)	371.26
MDL Number	MFCD00011838
SMILES	[Br-].CC[P+](C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1
Synonym	ethyltriphenylphosphonium bromide,ethyl triphenyl phosphonium bromide,triphenylethylphosphonium bromide,phosphonium, ethyltriphenyl-, bromide,ethyltriphenylphosphanium bromide,ethyl triphenylphosphonium bromide,unii-r85v84ul5v,ethyltriphenylphosphoniumbromide,guaifenesin powder,pubchem18705
InChI Key	JHYNXXDQQHTCHJ-UHFFFAOYSA-M
Molecular Formula	C20H20BrP

Benzyltrimethylammonium Tribromide 97.0+%, TCI America™

CAS: 111865-47-5 Molecular Formula: C10H17Br3N+ Molecular Weight (g/mol): 390.965 MDL Number: MFCD00134423 InChI Key: GSDDWZVWOXMLJZ-UHFFFAOYSA-N Synonym: benzyltrimethylammonium tribromide PubChem CID: 86222689 IUPAC Name: benzyl(trimethyl)azanium;molecular bromine;hydrobromide SMILES: C[N+](C)(C)CC1=CC=CC=C1.Br.BrBr

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Specifications

PubChem CID	86222689
CAS	111865-47-5
Molecular Weight (g/mol)	390.965
MDL Number	MFCD00134423
SMILES	C[N+](C)(C)CC1=CC=CC=C1.Br.BrBr
Synonym	benzyltrimethylammonium tribromide
IUPAC Name	benzyl(trimethyl)azanium;molecular bromine;hydrobromide
InChI Key	GSDDWZVWOXMLJZ-UHFFFAOYSA-N
Molecular Formula	C10H17Br3N+

Benzyltrimethylammonium Bromide 98.0+%, TCI America™

CAS: 5350-41-4 Molecular Formula: C10H16BrN Molecular Weight (g/mol): 230.149 MDL Number: MFCD00011780 InChI Key: UUZYBYIOAZTMGC-UHFFFAOYSA-M Synonym: benzyltrimethylammonium bromide,n,n,n-trimethyl-1-phenylmethanaminium bromide,trimethylbenzylammonium bromide,n-benzyl-n,n,n-trimethylammonium bromide,wv 562 german,benzenemethanaminium, n,n,n-trimethyl-, bromide,nsc 24,ammonium, benzyltrimethyl-, bromide,benzyltrimethylammonium bromide btm PubChem CID: 21449 IUPAC Name: benzyl(trimethyl)azanium;bromide SMILES: C[N+](C)(C)CC1=CC=CC=C1.[Br-]

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Specifications

PubChem CID	21449
CAS	5350-41-4
Molecular Weight (g/mol)	230.149
MDL Number	MFCD00011780
SMILES	C[N+](C)(C)CC1=CC=CC=C1.[Br-]
Synonym	benzyltrimethylammonium bromide,n,n,n-trimethyl-1-phenylmethanaminium bromide,trimethylbenzylammonium bromide,n-benzyl-n,n,n-trimethylammonium bromide,wv 562 german,benzenemethanaminium, n,n,n-trimethyl-, bromide,nsc 24,ammonium, benzyltrimethyl-, bromide,benzyltrimethylammonium bromide btm
IUPAC Name	benzyl(trimethyl)azanium;bromide
InChI Key	UUZYBYIOAZTMGC-UHFFFAOYSA-M
Molecular Formula	C10H16BrN

Benzyltributylammonium Bromide 98.0+%, TCI America™

CAS: 25316-59-0 Molecular Formula: C19H34BrN Molecular Weight (g/mol): 356.392 MDL Number: MFCD00011848 InChI Key: UDYGXWPMSJPFDG-UHFFFAOYSA-M Synonym: benzyltributylammonium bromide,tributylbenzylammonium bromide,n-benzyl-n,n-dibutylbutan-1-aminium bromide,benzyl tributyl ammonium bromide,benzenemethanaminium, n,n,n-tributyl-, bromide,benzyltri-n-butylammonium bromide,benzyltributylazanium bromide,benzyl-tributyl-azanium,benzyltributylammoniumbromide,pubchem7801 PubChem CID: 2724282 IUPAC Name: benzyl(tributyl)azanium;bromide SMILES: CCCC[N+](CCCC)(CCCC)CC1=CC=CC=C1.[Br-]

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Specifications

PubChem CID	2724282
CAS	25316-59-0
Molecular Weight (g/mol)	356.392
MDL Number	MFCD00011848
SMILES	CCCC[N+](CCCC)(CCCC)CC1=CC=CC=C1.[Br-]
Synonym	benzyltributylammonium bromide,tributylbenzylammonium bromide,n-benzyl-n,n-dibutylbutan-1-aminium bromide,benzyl tributyl ammonium bromide,benzenemethanaminium, n,n,n-tributyl-, bromide,benzyltri-n-butylammonium bromide,benzyltributylazanium bromide,benzyl-tributyl-azanium,benzyltributylammoniumbromide,pubchem7801
IUPAC Name	benzyl(tributyl)azanium;bromide
InChI Key	UDYGXWPMSJPFDG-UHFFFAOYSA-M
Molecular Formula	C19H34BrN

Benzyltriethylammonium Bromide 98.0+%, TCI America™

CAS: 5197-95-5 Molecular Formula: C13H22BrN Molecular Weight (g/mol): 272.23 MDL Number: MFCD00011822 InChI Key: CHQVQXZFZHACQQ-UHFFFAOYSA-M Synonym: benzyltriethylammonium bromide,n-benzyl-n,n-diethylethanaminium bromide,benzyl triethyl ammonium bromide,triethylbenzylammonium bromide,bteab,benzenemethanaminium, n,n,n-triethyl-, bromide,benzyltriethyl ammonium bromide,n-benzyl-n,n,n-triethylammoniumbromide,benzyltriethylazanium bromide,pubchem7797 PubChem CID: 165294 IUPAC Name: benzyltriethylazanium bromide SMILES: [Br-].CC[N+](CC)(CC)CC1=CC=CC=C1

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Specifications

PubChem CID	165294
CAS	5197-95-5
Molecular Weight (g/mol)	272.23
MDL Number	MFCD00011822
SMILES	[Br-].CC[N+](CC)(CC)CC1=CC=CC=C1
Synonym	benzyltriethylammonium bromide,n-benzyl-n,n-diethylethanaminium bromide,benzyl triethyl ammonium bromide,triethylbenzylammonium bromide,bteab,benzenemethanaminium, n,n,n-triethyl-, bromide,benzyltriethyl ammonium bromide,n-benzyl-n,n,n-triethylammoniumbromide,benzyltriethylazanium bromide,pubchem7797
IUPAC Name	benzyltriethylazanium bromide
InChI Key	CHQVQXZFZHACQQ-UHFFFAOYSA-M
Molecular Formula	C13H22BrN

Tetraphenylphosphonium Bromide 98.0+%, TCI America™

CAS: 2751-90-8 Molecular Formula: C24H20BrP Molecular Weight (g/mol): 419.30 MDL Number: MFCD00011915 InChI Key: BRKFQVAOMSWFDU-UHFFFAOYSA-M Synonym: tetraphenylphosphonium bromide,phosphonium, tetraphenyl-, bromide,tetraphenylphosphoniumbromide,tetraphenylphosponium bromide,tetraphenylphosphanium bromide,phosphonium, tetraphenyl-, bromide 1:1,ph4pbr,bromotetraphenylphosphorane,acmc-1ce9k,tetraphenylphosphorus bromide PubChem CID: 2724163 IUPAC Name: tetraphenylphosphanium bromide SMILES: [Br-].C1=CC=C(C=C1)[P+](C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1

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Specifications

PubChem CID	2724163
CAS	2751-90-8
Molecular Weight (g/mol)	419.30
MDL Number	MFCD00011915
SMILES	[Br-].C1=CC=C(C=C1)[P+](C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1
Synonym	tetraphenylphosphonium bromide,phosphonium, tetraphenyl-, bromide,tetraphenylphosphoniumbromide,tetraphenylphosponium bromide,tetraphenylphosphanium bromide,phosphonium, tetraphenyl-, bromide 1:1,ph4pbr,bromotetraphenylphosphorane,acmc-1ce9k,tetraphenylphosphorus bromide
IUPAC Name	tetraphenylphosphanium bromide
InChI Key	BRKFQVAOMSWFDU-UHFFFAOYSA-M
Molecular Formula	C24H20BrP

Triphenylphosphonium bromide, 99%

CAS: 6399-81-1 Molecular Formula: C18H16BrP Molecular Weight (g/mol): 343.20 MDL Number: MFCD00035107 InChI Key: CMSYDJVRTHCWFP-UHFFFAOYSA-N Synonym: triphenylphosphine hydrobromide,triphenylphosphonium bromide,phosphine, triphenyl-, hydrobromide,triphenylphosphane hydrobromide,triphenylphosphine bromine,pubchem13868,ph3p hbr,ph3p . hbr,unappfzuzwmopv-uhfffaoysa-n PubChem CID: 80811 IUPAC Name: triphenylphosphane;hydrobromide SMILES: Br.C1=CC=C(C=C1)P(C1=CC=CC=C1)C1=CC=CC=C1

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Specifications

PubChem CID	80811
CAS	6399-81-1
Molecular Weight (g/mol)	343.20
MDL Number	MFCD00035107
SMILES	Br.C1=CC=C(C=C1)P(C1=CC=CC=C1)C1=CC=CC=C1
Synonym	triphenylphosphine hydrobromide,triphenylphosphonium bromide,phosphine, triphenyl-, hydrobromide,triphenylphosphane hydrobromide,triphenylphosphine bromine,pubchem13868,ph3p hbr,ph3p . hbr,unappfzuzwmopv-uhfffaoysa-n
IUPAC Name	triphenylphosphane;hydrobromide
InChI Key	CMSYDJVRTHCWFP-UHFFFAOYSA-N
Molecular Formula	C18H16BrP

4-Bromoanisole, 98%

CAS: 104-92-7 Molecular Formula: C₇H₇BrO Molecular Weight (g/mol): 187.04 MDL Number: MFCD00000097 InChI Key: QJPJQTDYNZXKQF-UHFFFAOYSA-N Synonym: 4-bromoanisole,p-bromoanisole,benzene, 1-bromo-4-methoxy,4-methoxybromobenzene,anisyl bromide,p-anisyl bromide,p-bromanisole,p-methoxybromobenzene,p-methoxyphenyl bromide,4-methoxyphenyl bromide PubChem CID: 7730 ChEBI: CHEBI:47257 IUPAC Name: 1-bromo-4-methoxybenzene SMILES: COC1=CC=C(C=C1)Br

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Specifications

PubChem CID	7730
CAS	104-92-7
Molecular Weight (g/mol)	187.04
ChEBI	CHEBI:47257
MDL Number	MFCD00000097
SMILES	COC1=CC=C(C=C1)Br
Synonym	4-bromoanisole,p-bromoanisole,benzene, 1-bromo-4-methoxy,4-methoxybromobenzene,anisyl bromide,p-anisyl bromide,p-bromanisole,p-methoxybromobenzene,p-methoxyphenyl bromide,4-methoxyphenyl bromide
IUPAC Name	1-bromo-4-methoxybenzene
InChI Key	QJPJQTDYNZXKQF-UHFFFAOYSA-N
Molecular Formula	C₇H₇BrO

4-Bromoaniline, 99+%

CAS: 106-40-1 Molecular Formula: C₆H₆BrN Molecular Weight (g/mol): 172.02 InChI Key: WDFQBORIUYODSI-UHFFFAOYSA-N Synonym: p-bromoaniline,4-bromobenzenamine,benzenamine, 4-bromo,p-bromophenylamine,aniline, p-bromo,4-bromo-aniline,4-bromobenzeneamine,p-bromo aniline,4-bromanilinu,4-bromo-phenylamine PubChem CID: 7807 IUPAC Name: 4-bromoaniline SMILES: C1=CC(=CC=C1N)Br

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Specifications

PubChem CID	7807
CAS	106-40-1
Molecular Weight (g/mol)	172.02
SMILES	C1=CC(=CC=C1N)Br
Synonym	p-bromoaniline,4-bromobenzenamine,benzenamine, 4-bromo,p-bromophenylamine,aniline, p-bromo,4-bromo-aniline,4-bromobenzeneamine,p-bromo aniline,4-bromanilinu,4-bromo-phenylamine
IUPAC Name	4-bromoaniline
InChI Key	WDFQBORIUYODSI-UHFFFAOYSA-N
Molecular Formula	C₆H₆BrN

2-Bromoaniline, 98%

CAS: 615-36-1 Molecular Formula: C₆H₆BrN Molecular Weight (g/mol): 172.02 InChI Key: AOPBDRUWRLBSDB-UHFFFAOYSA-N PubChem CID: 11992 IUPAC Name: 2-bromoaniline SMILES: C1=CC=C(C(=C1)N)Br

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Specifications

PubChem CID	11992
CAS	615-36-1
Molecular Weight (g/mol)	172.02
SMILES	C1=CC=C(C(=C1)N)Br
IUPAC Name	2-bromoaniline
InChI Key	AOPBDRUWRLBSDB-UHFFFAOYSA-N
Molecular Formula	C₆H₆BrN

4-(Trifluoromethoxy)benzyl bromide, 97%

CAS: 50824-05-0 Molecular Formula: C8H6BrF3O Molecular Weight (g/mol): 255.034 MDL Number: MFCD00061238 InChI Key: JDNPUJCKXLOHOW-UHFFFAOYSA-N Synonym: 4-trifluoromethoxy benzyl bromide,1-bromomethyl-4-trifluoromethoxy benzene,4-trifluoromethoxybenzyl bromide,4-trifluoromethoxy benzylbromide,p-trifluoromethoxy benzyl bromide,alpha-bromo-4-trifluoromethoxy toluene,benzene, 1-bromomethyl-4-trifluoromethoxy,4-trifluoromethoxy-benzyl bromide,4-bromomethyl phenoxy trifluoromethane,1-bromomethyl-4-trifluoromethoxy-benzene PubChem CID: 142785 IUPAC Name: 1-(bromomethyl)-4-(trifluoromethoxy)benzene SMILES: C1=CC(=CC=C1CBr)OC(F)(F)F

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Specifications

PubChem CID	142785
CAS	50824-05-0
Molecular Weight (g/mol)	255.034
MDL Number	MFCD00061238
SMILES	C1=CC(=CC=C1CBr)OC(F)(F)F
Synonym	4-trifluoromethoxy benzyl bromide,1-bromomethyl-4-trifluoromethoxy benzene,4-trifluoromethoxybenzyl bromide,4-trifluoromethoxy benzylbromide,p-trifluoromethoxy benzyl bromide,alpha-bromo-4-trifluoromethoxy toluene,benzene, 1-bromomethyl-4-trifluoromethoxy,4-trifluoromethoxy-benzyl bromide,4-bromomethyl phenoxy trifluoromethane,1-bromomethyl-4-trifluoromethoxy-benzene
IUPAC Name	1-(bromomethyl)-4-(trifluoromethoxy)benzene
InChI Key	JDNPUJCKXLOHOW-UHFFFAOYSA-N
Molecular Formula	C8H6BrF3O

Benzene and substituted derivatives

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