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.

6,016 – 6,030 of 74,565 results

6,016

2,5-Difluorophenyl isocyanate, 98%

CAS: 39718-32-6 Molecular Formula: C7H3F2NO Molecular Weight (g/mol): 155.104 MDL Number: MFCD00013843 InChI Key: SNHIIFOXCRYGGY-UHFFFAOYSA-N PubChem CID: 2733266 IUPAC Name: 1,4-difluoro-2-isocyanatobenzene SMILES: C1=CC(=C(C=C1F)N=C=O)F

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Specifications

PubChem CID	2733266
CAS	39718-32-6
Molecular Weight (g/mol)	155.104
MDL Number	MFCD00013843
SMILES	C1=CC(=C(C=C1F)N=C=O)F
IUPAC Name	1,4-difluoro-2-isocyanatobenzene
InChI Key	SNHIIFOXCRYGGY-UHFFFAOYSA-N
Molecular Formula	C7H3F2NO

6,017

1-(4-Bromobenzyl)-4-methylperhydro-1,4-diazepine, 97%, Thermo Scientific™

CAS: 280560-78-3 Molecular Formula: C13H19BrN2 Molecular Weight (g/mol): 283.213 MDL Number: MFCD00810550 InChI Key: WQUWRVLHCKJAMG-UHFFFAOYSA-N Synonym: 1-4-bromobenzyl-4-methylperhydro-1,4-diazepine,1-4-bromophenyl methyl-4-methyl-1,4-diazepane,1-4-bromobenzyl-4-methyl-1,4-diazepane,cambridge id 5258520,1h-1,4-diazepine,1-4-bromophenyl methyl hexahydro-4-methyl PubChem CID: 763047 IUPAC Name: 1-[(4-bromophenyl)methyl]-4-methyl-1,4-diazepane SMILES: CN1CCCN(CC1)CC2=CC=C(C=C2)Br

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Specifications

PubChem CID	763047
CAS	280560-78-3
Molecular Weight (g/mol)	283.213
MDL Number	MFCD00810550
SMILES	CN1CCCN(CC1)CC2=CC=C(C=C2)Br
Synonym	1-4-bromobenzyl-4-methylperhydro-1,4-diazepine,1-4-bromophenyl methyl-4-methyl-1,4-diazepane,1-4-bromobenzyl-4-methyl-1,4-diazepane,cambridge id 5258520,1h-1,4-diazepine,1-4-bromophenyl methyl hexahydro-4-methyl
IUPAC Name	1-[(4-bromophenyl)methyl]-4-methyl-1,4-diazepane
InChI Key	WQUWRVLHCKJAMG-UHFFFAOYSA-N
Molecular Formula	C13H19BrN2

6,018

3-(Trifluoromethyl)benzaldehyde, 97%

CAS: 454-89-7 Molecular Formula: C₈H₅F₃O Molecular Weight (g/mol): 174.12 MDL Number: MFCD00003373 InChI Key: NMTUHPSKJJYGML-UHFFFAOYSA-N Synonym: 3-trifluoromethyl benzaldehyde,m-trifluoromethylbenzaldehyde,benzaldehyde, 3-trifluoromethyl,alpha,alpha,alpha-trifluoro-m-tolualdehyde,alpha,alpha,alpha-trifluoro-3-tolualdehyde,unii-at7h4h5u3e,a,a,a-trifluoro-m-tolualdehyde,3-trifluoromethyl-benzaldehyde,mtf-bad,3-formylbenzotrifluoride PubChem CID: 67990 IUPAC Name: 3-(trifluoromethyl)benzaldehyde SMILES: C1=CC(=CC(=C1)C(F)(F)F)C=O

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Specifications

PubChem CID	67990
CAS	454-89-7
Molecular Weight (g/mol)	174.12
MDL Number	MFCD00003373
SMILES	C1=CC(=CC(=C1)C(F)(F)F)C=O
Synonym	3-trifluoromethyl benzaldehyde,m-trifluoromethylbenzaldehyde,benzaldehyde, 3-trifluoromethyl,alpha,alpha,alpha-trifluoro-m-tolualdehyde,alpha,alpha,alpha-trifluoro-3-tolualdehyde,unii-at7h4h5u3e,a,a,a-trifluoro-m-tolualdehyde,3-trifluoromethyl-benzaldehyde,mtf-bad,3-formylbenzotrifluoride
IUPAC Name	3-(trifluoromethyl)benzaldehyde
InChI Key	NMTUHPSKJJYGML-UHFFFAOYSA-N
Molecular Formula	C₈H₅F₃O

6,019

4-(2-Chloro-6-nitrophenoxy)benzene-1-sulfonyl chloride, 97%, Thermo Scientific™

CAS: 175135-00-9 Molecular Formula: C12H7Cl2NO5S Molecular Weight (g/mol): 348.15 MDL Number: MFCD00052679 InChI Key: CRTUVOFOPIFTQS-UHFFFAOYSA-N Synonym: 4-2-chloro-6-nitrophenoxy benzene-1-sulfonyl chloride,4-2-chloro-6-nitrophenoxy benzenesulfonyl chloride,4-6-nitro-2-chlorophenoxy-benzenesulfonyl chloride,4-2-chloro-6-nitrophenoxy benzene-1-sulphonyl chloride PubChem CID: 2774276 IUPAC Name: 4-(2-chloro-6-nitrophenoxy)benzenesulfonyl chloride SMILES: C1=CC(=C(C(=C1)Cl)OC2=CC=C(C=C2)S(=O)(=O)Cl)[N+](=O)[O-]

Pricing & Availability
Specifications

PubChem CID	2774276
CAS	175135-00-9
Molecular Weight (g/mol)	348.15
MDL Number	MFCD00052679
SMILES	C1=CC(=C(C(=C1)Cl)OC2=CC=C(C=C2)S(=O)(=O)Cl)[N+](=O)[O-]
Synonym	4-2-chloro-6-nitrophenoxy benzene-1-sulfonyl chloride,4-2-chloro-6-nitrophenoxy benzenesulfonyl chloride,4-6-nitro-2-chlorophenoxy-benzenesulfonyl chloride,4-2-chloro-6-nitrophenoxy benzene-1-sulphonyl chloride
IUPAC Name	4-(2-chloro-6-nitrophenoxy)benzenesulfonyl chloride
InChI Key	CRTUVOFOPIFTQS-UHFFFAOYSA-N
Molecular Formula	C12H7Cl2NO5S

6,020

(S)-3-(Fmoc-amino)-3-(2-nitrophenyl)propionic acid, 95%

CAS: 507472-25-5 Molecular Formula: C24H20N2O6 Molecular Weight (g/mol): 432.43 MDL Number: MFCD03428007 InChI Key: DRESTDPDCGPKNI-UHFFFAOYNA-N Synonym: s-3-9h-fluoren-9-yl methoxy carbonyl amino-3-2-nitrophenyl propanoic acid,fmoc-s-3-amino-3-2-nitro-phenyl-propionic acid,fmoc-s-3-amino-3-2-nitrophenyl-propionic acid,fmoc-d-beta-phe 2-no2-oh,3s-3-9h-fluoren-9-ylmethoxy carbonyl amino-3-2-nitrophenyl propanoic acid,pubchem24027,fmoc-?-phe 2-no2-oh,n-fmoc-2-nitro-d-beta-phenylalanine,fmoc-s-3-amino-3-2-nitrophenyl propionic acid PubChem CID: 7023399 IUPAC Name: 3-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)-3-(2-nitrophenyl)propanoic acid SMILES: OC(=O)CC(NC(=O)OCC1C2=CC=CC=C2C2=CC=CC=C12)C1=CC=CC=C1[N+]([O-])=O

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Specifications

PubChem CID	7023399
CAS	507472-25-5
Molecular Weight (g/mol)	432.43
MDL Number	MFCD03428007
SMILES	OC(=O)CC(NC(=O)OCC1C2=CC=CC=C2C2=CC=CC=C12)C1=CC=CC=C1[N+]([O-])=O
Synonym	s-3-9h-fluoren-9-yl methoxy carbonyl amino-3-2-nitrophenyl propanoic acid,fmoc-s-3-amino-3-2-nitro-phenyl-propionic acid,fmoc-s-3-amino-3-2-nitrophenyl-propionic acid,fmoc-d-beta-phe 2-no2-oh,3s-3-9h-fluoren-9-ylmethoxy carbonyl amino-3-2-nitrophenyl propanoic acid,pubchem24027,fmoc-?-phe 2-no2-oh,n-fmoc-2-nitro-d-beta-phenylalanine,fmoc-s-3-amino-3-2-nitrophenyl propionic acid
IUPAC Name	3-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)-3-(2-nitrophenyl)propanoic acid
InChI Key	DRESTDPDCGPKNI-UHFFFAOYNA-N
Molecular Formula	C24H20N2O6

6,021

(S)-(-)-1,1,2-Triphenyl-1,2-ethanediol, 98%, Thermo Scientific Chemicals

CAS: 108998-83-0 Molecular Formula: C20H18O2 Molecular Weight (g/mol): 290.362 MDL Number: MFCD00075492 InChI Key: GWVWUZJOQHWMFB-IBGZPJMESA-N Synonym: s---1,1,2-triphenylethane-1,2-diol,s---1,1,2-triphenyl-1,2-ethanediol,s-1,1,2-triphenylethane-1,2-diol,2s-1,1,2-triphenylethane-1,2-diol,s-1,1,2-triphenyl-1,2-ethanediol,1,2-ethanediol, 1,1,2-triphenyl-, 2s,1,1,2-triphenyl-ethane-1,2-diol,s-1,1,2-triphenyl-ethane-1,2-diol,s-triphenyl-ethane-1,2-diol,s---triphenylethylene glycol PubChem CID: 7000031 IUPAC Name: (2S)-1,1,2-triphenylethane-1,2-diol SMILES: C1=CC=C(C=C1)C(C(C2=CC=CC=C2)(C3=CC=CC=C3)O)O

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Specifications

PubChem CID	7000031
CAS	108998-83-0
Molecular Weight (g/mol)	290.362
MDL Number	MFCD00075492
SMILES	C1=CC=C(C=C1)C(C(C2=CC=CC=C2)(C3=CC=CC=C3)O)O
Synonym	s---1,1,2-triphenylethane-1,2-diol,s---1,1,2-triphenyl-1,2-ethanediol,s-1,1,2-triphenylethane-1,2-diol,2s-1,1,2-triphenylethane-1,2-diol,s-1,1,2-triphenyl-1,2-ethanediol,1,2-ethanediol, 1,1,2-triphenyl-, 2s,1,1,2-triphenyl-ethane-1,2-diol,s-1,1,2-triphenyl-ethane-1,2-diol,s-triphenyl-ethane-1,2-diol,s---triphenylethylene glycol
IUPAC Name	(2S)-1,1,2-triphenylethane-1,2-diol
InChI Key	GWVWUZJOQHWMFB-IBGZPJMESA-N
Molecular Formula	C20H18O2

6,022

4-(5-Methyl-1,3,4-oxadiazol-2-yl)benzaldehyde, 97%, Thermo Scientific™

CAS: 179056-82-7 Molecular Formula: C10H8N2O2 Molecular Weight (g/mol): 188.19 MDL Number: MFCD11109323 InChI Key: MPECIJQJPPLBGV-UHFFFAOYSA-N Synonym: 4-5-methyl-1,3,4-oxadiazol-2-yl benzaldehyde,2-4-formylphenyl-5-methyl-1,3,4-oxadiazole,benzaldehyde,4-5-methyl-1,3,4-oxadiazol-2-yl,4-5-methyl-1,3,4-oxadiazol-2-yl benzaldehyd,benzaldehyde, 4-5-methyl-1,3,4-oxadiazol-2-yl PubChem CID: 10655207 IUPAC Name: 4-(5-methyl-1,3,4-oxadiazol-2-yl)benzaldehyde SMILES: CC1=NN=C(O1)C1=CC=C(C=O)C=C1

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Specifications

PubChem CID	10655207
CAS	179056-82-7
Molecular Weight (g/mol)	188.19
MDL Number	MFCD11109323
SMILES	CC1=NN=C(O1)C1=CC=C(C=O)C=C1
Synonym	4-5-methyl-1,3,4-oxadiazol-2-yl benzaldehyde,2-4-formylphenyl-5-methyl-1,3,4-oxadiazole,benzaldehyde,4-5-methyl-1,3,4-oxadiazol-2-yl,4-5-methyl-1,3,4-oxadiazol-2-yl benzaldehyd,benzaldehyde, 4-5-methyl-1,3,4-oxadiazol-2-yl
IUPAC Name	4-(5-methyl-1,3,4-oxadiazol-2-yl)benzaldehyde
InChI Key	MPECIJQJPPLBGV-UHFFFAOYSA-N
Molecular Formula	C10H8N2O2

6,023

2,5-Difluorobenzeneboronic acid, 96%

CAS: 193353-34-3 Molecular Formula: C6H5BF2O2 Molecular Weight (g/mol): 157.911 MDL Number: MFCD01863171 InChI Key: KTOJGSDLJNUAEP-UHFFFAOYSA-N Synonym: 2,5-difluorophenyl boronic acid,2,5-difluorobenzeneboronic acid,2,5-difluorophenyl boranediol,boronic acid, 2,5-difluorophenyl,2,5-difluorophenylboronicacid,2,5-fluorobenzene boronic acid,pubchem1820,acmc-1c1am,ksc174i6r,2,5-difluoro phenylboronic acid PubChem CID: 2734335 IUPAC Name: (2,5-difluorophenyl)boronic acid SMILES: B(C1=C(C=CC(=C1)F)F)(O)O

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Specifications

PubChem CID	2734335
CAS	193353-34-3
Molecular Weight (g/mol)	157.911
MDL Number	MFCD01863171
SMILES	B(C1=C(C=CC(=C1)F)F)(O)O
Synonym	2,5-difluorophenyl boronic acid,2,5-difluorobenzeneboronic acid,2,5-difluorophenyl boranediol,boronic acid, 2,5-difluorophenyl,2,5-difluorophenylboronicacid,2,5-fluorobenzene boronic acid,pubchem1820,acmc-1c1am,ksc174i6r,2,5-difluoro phenylboronic acid
IUPAC Name	(2,5-difluorophenyl)boronic acid
InChI Key	KTOJGSDLJNUAEP-UHFFFAOYSA-N
Molecular Formula	C6H5BF2O2

6,024

5-methyl-1-[3-(trifluoromethyl)phenyl]-1H-1,2,3-triazole-4-carboxylic acid, Thermo Scientific™

CAS: 499771-21-0 Molecular Formula: C11H8F3N3O2 Molecular Weight (g/mol): 271.199 InChI Key: IRJLZHQBWAUKGA-UHFFFAOYSA-N Synonym: 5-methyl-1-3-trifluoromethyl phenyl-1h-1,2,3-triazole-4-carboxylic acid,5-methyl-1-3-trifluoromethyl phenyl-1,2,3-triazole-4-carboxylic acid,maybridge1_002663,5-methyl-1-3-trifluoromethyl phenyl-4-triazolecarboxylic acid,5-methyl-1-3-trifluoromethyl phenyl triazole-4-carboxylic acid,5-methyl-1-3-trifluoromethyl phenyl-1h-1,2,3-triazole-4carboxylic acid PubChem CID: 2804089 IUPAC Name: 5-methyl-1-[3-(trifluoromethyl)phenyl]triazole-4-carboxylic acid SMILES: CC1=C(N=NN1C2=CC=CC(=C2)C(F)(F)F)C(=O)O

Pricing & Availability
Specifications

PubChem CID	2804089
CAS	499771-21-0
Molecular Weight (g/mol)	271.199
SMILES	CC1=C(N=NN1C2=CC=CC(=C2)C(F)(F)F)C(=O)O
Synonym	5-methyl-1-3-trifluoromethyl phenyl-1h-1,2,3-triazole-4-carboxylic acid,5-methyl-1-3-trifluoromethyl phenyl-1,2,3-triazole-4-carboxylic acid,maybridge1_002663,5-methyl-1-3-trifluoromethyl phenyl-4-triazolecarboxylic acid,5-methyl-1-3-trifluoromethyl phenyl triazole-4-carboxylic acid,5-methyl-1-3-trifluoromethyl phenyl-1h-1,2,3-triazole-4carboxylic acid
IUPAC Name	5-methyl-1-[3-(trifluoromethyl)phenyl]triazole-4-carboxylic acid
InChI Key	IRJLZHQBWAUKGA-UHFFFAOYSA-N
Molecular Formula	C11H8F3N3O2

6,025

4-Hydroxy-3-methoxybenzonitrile, 98%

CAS: 4421-08-3 MDL Number: MFCD00001820

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Specifications

CAS	4421-08-3
MDL Number	MFCD00001820

6,026

Methyl 3-chlorobenzoate, 98%

CAS: 2905-65-9 Molecular Formula: C8H7ClO2 Molecular Weight (g/mol): 170.59 MDL Number: MFCD00000592 InChI Key: XRDRKVPNHIWTBX-UHFFFAOYSA-N Synonym: methyl m-chlorobenzoate,benzoic acid, 3-chloro-, methyl ester,m-chlorobenzoic acid methyl ester,methyl-3-chlorobenzoate,benzoic acid, m-chloro-, methyl ester,3-chlorobenzoic acid methyl ester,3-chloro-benzoic acid methyl ester,acmc-1cegg,dsstox_cid_7507,3-chlorobenzoic acid methyl PubChem CID: 17946 IUPAC Name: methyl 3-chlorobenzoate SMILES: COC(=O)C1=CC=CC(Cl)=C1

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Specifications

PubChem CID	17946
CAS	2905-65-9
Molecular Weight (g/mol)	170.59
MDL Number	MFCD00000592
SMILES	COC(=O)C1=CC=CC(Cl)=C1
Synonym	methyl m-chlorobenzoate,benzoic acid, 3-chloro-, methyl ester,m-chlorobenzoic acid methyl ester,methyl-3-chlorobenzoate,benzoic acid, m-chloro-, methyl ester,3-chlorobenzoic acid methyl ester,3-chloro-benzoic acid methyl ester,acmc-1cegg,dsstox_cid_7507,3-chlorobenzoic acid methyl
IUPAC Name	methyl 3-chlorobenzoate
InChI Key	XRDRKVPNHIWTBX-UHFFFAOYSA-N
Molecular Formula	C8H7ClO2

6,027

beta-Tetralone, 95%

CAS: 530-93-8 Molecular Formula: C₁₀H₁₀O Molecular Weight (g/mol): 146.19 MDL Number: MFCD00001727 InChI Key: KCKZIWSINLBROE-UHFFFAOYSA-N Synonym: 2-tetralone,beta-tetralone,1,2,3,4-tetrahydro-2-naphthalenone,3,4-dihydronaphthalen-2 1h-one,1,2,3,4-tetrahydronaphthalen-2-one,2 1h-naphthalenone, 3,4-dihydro,.beta.-tetralone,tetralin-2-one,3,4-dihydro-2 1h-naphthalenone,3,4-dihydro-2-oxonaphthalene PubChem CID: 68266 IUPAC Name: 3,4-dihydro-1H-naphthalen-2-one SMILES: C1CC2=CC=CC=C2CC1=O

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Specifications

PubChem CID	68266
CAS	530-93-8
Molecular Weight (g/mol)	146.19
MDL Number	MFCD00001727
SMILES	C1CC2=CC=CC=C2CC1=O
Synonym	2-tetralone,beta-tetralone,1,2,3,4-tetrahydro-2-naphthalenone,3,4-dihydronaphthalen-2 1h-one,1,2,3,4-tetrahydronaphthalen-2-one,2 1h-naphthalenone, 3,4-dihydro,.beta.-tetralone,tetralin-2-one,3,4-dihydro-2 1h-naphthalenone,3,4-dihydro-2-oxonaphthalene
IUPAC Name	3,4-dihydro-1H-naphthalen-2-one
InChI Key	KCKZIWSINLBROE-UHFFFAOYSA-N
Molecular Formula	C₁₀H₁₀O

6,028

2-Methoxyphenylboronic acid, 97%

CAS: 5720-06-9 Molecular Formula: C7H9BO3 Molecular Weight (g/mol): 151.96 MDL Number: MFCD00236047 InChI Key: ROEQGIFOWRQYHD-UHFFFAOYSA-N SMILES: COC1=CC=CC=C1B(O)O

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Specifications

CAS	5720-06-9
Molecular Weight (g/mol)	151.96
MDL Number	MFCD00236047
SMILES	COC1=CC=CC=C1B(O)O
InChI Key	ROEQGIFOWRQYHD-UHFFFAOYSA-N
Molecular Formula	C7H9BO3

6,029

3,4-Dihydroxybenzonitrile, 97%, Thermo Scientific Chemicals

CAS: 17345-61-8 Molecular Formula: C7H5NO2 Molecular Weight (g/mol): 135.122 MDL Number: MFCD00016436 InChI Key: NUWHYWYSMAPBHK-UHFFFAOYSA-N Synonym: protocatachuonitrile,3,4-dihydroxy benzonitrile,3,4-dihydroxybenzenecarbonitrile,protocatechuonitrile,4-cyanocatechol,protocatechunitrile,4-cyanopyrocatechol,pubchem3120,acmc-209e6q,3, 4-dihydroxybenzonitrile PubChem CID: 87065 IUPAC Name: 3,4-dihydroxybenzonitrile SMILES: C1=CC(=C(C=C1C#N)O)O

Pricing & Availability
Specifications

PubChem CID	87065
CAS	17345-61-8
Molecular Weight (g/mol)	135.122
MDL Number	MFCD00016436
SMILES	C1=CC(=C(C=C1C#N)O)O
Synonym	protocatachuonitrile,3,4-dihydroxy benzonitrile,3,4-dihydroxybenzenecarbonitrile,protocatechuonitrile,4-cyanocatechol,protocatechunitrile,4-cyanopyrocatechol,pubchem3120,acmc-209e6q,3, 4-dihydroxybenzonitrile
IUPAC Name	3,4-dihydroxybenzonitrile
InChI Key	NUWHYWYSMAPBHK-UHFFFAOYSA-N
Molecular Formula	C7H5NO2

6,030

2-(Trifluoromethyl)phenylhydrazine, 97%

CAS: 365-34-4 Molecular Formula: C7H7F3N2 Molecular Weight (g/mol): 176.142 MDL Number: MFCD00052687 InChI Key: JSWQDLBFVSTSIW-UHFFFAOYSA-N Synonym: 2-trifluoromethyl phenylhydrazine,2-trifluoromethyl phenyl hydrazine,2-trifluoromethylphenylhydrazine,1-2-trifluoromethyl phenyl hydrazine,m-trifluoromethylphenylhydrazine,hydrazine, 2-trifluoromethyl phenyl,buttpark 44\57-17,2-trifluoromethyl-phenyl-hydrazine PubChem CID: 520800 IUPAC Name: [2-(trifluoromethyl)phenyl]hydrazine SMILES: C1=CC=C(C(=C1)C(F)(F)F)NN

Pricing & Availability
Specifications

PubChem CID	520800
CAS	365-34-4
Molecular Weight (g/mol)	176.142
MDL Number	MFCD00052687
SMILES	C1=CC=C(C(=C1)C(F)(F)F)NN
Synonym	2-trifluoromethyl phenylhydrazine,2-trifluoromethyl phenyl hydrazine,2-trifluoromethylphenylhydrazine,1-2-trifluoromethyl phenyl hydrazine,m-trifluoromethylphenylhydrazine,hydrazine, 2-trifluoromethyl phenyl,buttpark 44\57-17,2-trifluoromethyl-phenyl-hydrazine
IUPAC Name	[2-(trifluoromethyl)phenyl]hydrazine
InChI Key	JSWQDLBFVSTSIW-UHFFFAOYSA-N
Molecular Formula	C7H7F3N2

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