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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2,086 – 2,100 of 64,662 results

2,086

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(R)-(-)-4-Fluorostyrene oxide, 98+%, ee 98+%, Thermo Scientific Chemicals

CAS: 134356-73-3 Molecular Formula: C8H7FO Molecular Weight (g/mol): 138.14 MDL Number: MFCD03788740,MFCD00043994,MFCD03788740 InChI Key: ICVNPQMUUHPPOK-UHFFFAOYNA-N Synonym: r-4-fluorophenyl oxirane,r-2-4-fluorophenyl oxirane,2r-2-4-fluorophenyl oxirane,r-4-fluorostyrene oxide,r---4-fluorostyrene oxide,pubchem18166,r-4-fluorophenyl oxirane, technical gc PubChem CID: 7023123 IUPAC Name: (2R)-2-(4-fluorophenyl)oxirane SMILES: FC1=CC=C(C=C1)C1CO1

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Specifications

PubChem CID	7023123
CAS	134356-73-3
Molecular Weight (g/mol)	138.14
MDL Number	MFCD03788740,MFCD00043994,MFCD03788740
SMILES	FC1=CC=C(C=C1)C1CO1
Synonym	r-4-fluorophenyl oxirane,r-2-4-fluorophenyl oxirane,2r-2-4-fluorophenyl oxirane,r-4-fluorostyrene oxide,r---4-fluorostyrene oxide,pubchem18166,r-4-fluorophenyl oxirane, technical gc
IUPAC Name	(2R)-2-(4-fluorophenyl)oxirane
InChI Key	ICVNPQMUUHPPOK-UHFFFAOYNA-N
Molecular Formula	C8H7FO

2,087

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4-Bromo-3-fluorobenzeneboronic acid, 95%

CAS: 374790-97-3 Molecular Formula: C6H5BBrFO2 Molecular Weight (g/mol): 218.82 MDL Number: MFCD02093066 InChI Key: ACLQPRPXJMWADE-UHFFFAOYSA-N Synonym: 4-bromo-3-fluorobenzeneboronic acid,4-bromo-3-fluorophenyl boronic acid,boronic acid, 4-bromo-3-fluorophenyl,boronic acid, b-4-bromo-3-fluorophenyl,pubchem7779,4-bromo-3-fluoro-phenyl boronic acid,acmc-209it9,4-bromo-3-fluorobenzeneboronicacid PubChem CID: 2773335 IUPAC Name: (4-bromo-3-fluorophenyl)boronic acid SMILES: OB(O)C1=CC=C(Br)C(F)=C1

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Specifications

PubChem CID	2773335
CAS	374790-97-3
Molecular Weight (g/mol)	218.82
MDL Number	MFCD02093066
SMILES	OB(O)C1=CC=C(Br)C(F)=C1
Synonym	4-bromo-3-fluorobenzeneboronic acid,4-bromo-3-fluorophenyl boronic acid,boronic acid, 4-bromo-3-fluorophenyl,boronic acid, b-4-bromo-3-fluorophenyl,pubchem7779,4-bromo-3-fluoro-phenyl boronic acid,acmc-209it9,4-bromo-3-fluorobenzeneboronicacid
IUPAC Name	(4-bromo-3-fluorophenyl)boronic acid
InChI Key	ACLQPRPXJMWADE-UHFFFAOYSA-N
Molecular Formula	C6H5BBrFO2

2,088

3-(Morpholin-4-ylmethyl)benzoic acid hydrochloride hydrate, 97%, Thermo Scientific™

CAS: 137605-80-2 Molecular Formula: C12H16ClNO3 Molecular Weight (g/mol): 257.71 MDL Number: MFCD09064949 InChI Key: UOMMCPQFAXOMMO-UHFFFAOYSA-N Synonym: 3-morpholin-4-ylmethyl benzoic acid hydrochloride,3-morpholinomethyl benzoic acid hydrochloride,3-morpholin-4-ylmethyl benzoic acid, chloride,3-morpholin-4-ylmethyl benzoic acid,hydrochloride,3-morpholin-4-yl methyl benzoic acid hydrochloride,3-morpholin-4-yl methyl benzoic acid-hydrogen chloride 1/1 PubChem CID: 24229486 IUPAC Name: 3-(morpholin-4-ylmethyl)benzoic acid;hydrochloride SMILES: Cl.OC(=O)C1=CC(CN2CCOCC2)=CC=C1

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Specifications

PubChem CID	24229486
CAS	137605-80-2
Molecular Weight (g/mol)	257.71
MDL Number	MFCD09064949
SMILES	Cl.OC(=O)C1=CC(CN2CCOCC2)=CC=C1
Synonym	3-morpholin-4-ylmethyl benzoic acid hydrochloride,3-morpholinomethyl benzoic acid hydrochloride,3-morpholin-4-ylmethyl benzoic acid, chloride,3-morpholin-4-ylmethyl benzoic acid,hydrochloride,3-morpholin-4-yl methyl benzoic acid hydrochloride,3-morpholin-4-yl methyl benzoic acid-hydrogen chloride 1/1
IUPAC Name	3-(morpholin-4-ylmethyl)benzoic acid;hydrochloride
InChI Key	UOMMCPQFAXOMMO-UHFFFAOYSA-N
Molecular Formula	C12H16ClNO3

2,089

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4-Hydroxy-3-methoxybenzyl alcohol, 99%

CAS: 498-00-0 Molecular Formula: C8H10O3 Molecular Weight (g/mol): 154.17 MDL Number: MFCD00004659 InChI Key: ZENOXNGFMSCLLL-UHFFFAOYSA-N Synonym: vanillyl alcohol,4-hydroxy-3-methoxybenzyl alcohol,4-hydroxymethyl-2-methoxyphenol,vanillin alcohol,vanillic alcohol,4-hydroxy-3-methoxybenzenemethanol,benzenemethanol, 4-hydroxy-3-methoxy,vanillol,4-hydroxy-3-methoxybenzylalcohol,4-hydroxy-3-methoxyphenylmethanol PubChem CID: 62348 ChEBI: CHEBI:18353 IUPAC Name: 4-(hydroxymethyl)-2-methoxyphenol SMILES: COC1=CC(CO)=CC=C1O

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Specifications

PubChem CID	62348
CAS	498-00-0
Molecular Weight (g/mol)	154.17
ChEBI	CHEBI:18353
MDL Number	MFCD00004659
SMILES	COC1=CC(CO)=CC=C1O
Synonym	vanillyl alcohol,4-hydroxy-3-methoxybenzyl alcohol,4-hydroxymethyl-2-methoxyphenol,vanillin alcohol,vanillic alcohol,4-hydroxy-3-methoxybenzenemethanol,benzenemethanol, 4-hydroxy-3-methoxy,vanillol,4-hydroxy-3-methoxybenzylalcohol,4-hydroxy-3-methoxyphenylmethanol
IUPAC Name	4-(hydroxymethyl)-2-methoxyphenol
InChI Key	ZENOXNGFMSCLLL-UHFFFAOYSA-N
Molecular Formula	C8H10O3

2,090

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5-Fluoro-2-methylaniline, 99%

CAS: 367-29-3 Molecular Formula: C7H8FN Molecular Weight (g/mol): 125.15 MDL Number: MFCD00007764 InChI Key: JLCDTNNLXUMYFQ-UHFFFAOYSA-N Synonym: 2-amino-4-fluorotoluene,5-fluoro-o-toluidine,3-fluoro-6-methylaniline,2-methyl-5-fluoroaniline,benzenamine, 5-fluoro-2-methyl,5-fluoro-2-methyl-phenylamine,5-fluoro-2-methyl-aniline,5-fluoro-2-methylphenylamine,5-fluor-2-methylanilin PubChem CID: 67774 IUPAC Name: 5-fluoro-2-methylaniline SMILES: CC1=CC=C(F)C=C1N

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Specifications

PubChem CID	67774
CAS	367-29-3
Molecular Weight (g/mol)	125.15
MDL Number	MFCD00007764
SMILES	CC1=CC=C(F)C=C1N
Synonym	2-amino-4-fluorotoluene,5-fluoro-o-toluidine,3-fluoro-6-methylaniline,2-methyl-5-fluoroaniline,benzenamine, 5-fluoro-2-methyl,5-fluoro-2-methyl-phenylamine,5-fluoro-2-methyl-aniline,5-fluoro-2-methylphenylamine,5-fluor-2-methylanilin
IUPAC Name	5-fluoro-2-methylaniline
InChI Key	JLCDTNNLXUMYFQ-UHFFFAOYSA-N
Molecular Formula	C7H8FN

2,091

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3,5-Dinitroaniline, 98%

CAS: 618-87-1 MDL Number: MFCD00007263 InChI Key: MPBZUKLDHPOCLS-UHFFFAOYSA-N Synonym: benzenamine, 3,5-dinitro,aniline, 3,5-dinitro,unii-0ahr6k1n73,ccris 3109,3,5-dinitrophenylamine,3-5-dinitro-phenylamine,3,5-dinitroanilin,aniline,5-dinitro,acmc-209mx8,benzenamine,3,5-dinitro PubChem CID: 12068 IUPAC Name: 3,5-dinitroaniline SMILES: C1=C(C=C(C=C1[N+](=O)[O-])[N+](=O)[O-])N

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Specifications

PubChem CID	12068
CAS	618-87-1
MDL Number	MFCD00007263
SMILES	C1=C(C=C(C=C1[N+](=O)[O-])[N+](=O)[O-])N
Synonym	benzenamine, 3,5-dinitro,aniline, 3,5-dinitro,unii-0ahr6k1n73,ccris 3109,3,5-dinitrophenylamine,3-5-dinitro-phenylamine,3,5-dinitroanilin,aniline,5-dinitro,acmc-209mx8,benzenamine,3,5-dinitro
IUPAC Name	3,5-dinitroaniline
InChI Key	MPBZUKLDHPOCLS-UHFFFAOYSA-N

2,092

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Iodobenzene, 98%

CAS: 591-50-4 Molecular Formula: C6H5I Molecular Weight (g/mol): 204.01 MDL Number: MFCD00001029 InChI Key: SNHMUERNLJLMHN-UHFFFAOYSA-N Synonym: benzene, iodo,phenyl iodide,benzene iodide,iodophenyl,iodinebenzol,iodo-benzene,phenyliodide,iodo benzene,unii-9hk5l7ybbr,1-iodobenzene PubChem CID: 11575 IUPAC Name: iodobenzene SMILES: IC1=CC=CC=C1

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Specifications

PubChem CID	11575
CAS	591-50-4
Molecular Weight (g/mol)	204.01
MDL Number	MFCD00001029
SMILES	IC1=CC=CC=C1
Synonym	benzene, iodo,phenyl iodide,benzene iodide,iodophenyl,iodinebenzol,iodo-benzene,phenyliodide,iodo benzene,unii-9hk5l7ybbr,1-iodobenzene
IUPAC Name	iodobenzene
InChI Key	SNHMUERNLJLMHN-UHFFFAOYSA-N
Molecular Formula	C6H5I

2,093

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Pentafluorobenzaldehyde, 98%

CAS: 653-37-2 Molecular Formula: C₇HF₅O Molecular Weight (g/mol): 196.08 MDL Number: MFCD00003303 InChI Key: QJXCFMJTJYCLFG-UHFFFAOYSA-N Synonym: pentafluorobenzaldehyde,perfluorobenzaldehyde,benzaldehyde, pentafluoro,benzaldehyde, 2,3,4,5,6-pentafluoro,unii-s9yie3jz4k,pentafluor-benzaldehyd,s9yie3jz4k,pubchem4253,pentafluoro-benzaldehyde,acmc-209nqh PubChem CID: 69558 IUPAC Name: 2,3,4,5,6-pentafluorobenzaldehyde SMILES: C(=O)C1=C(C(=C(C(=C1F)F)F)F)F

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Specifications

PubChem CID	69558
CAS	653-37-2
Molecular Weight (g/mol)	196.08
MDL Number	MFCD00003303
SMILES	C(=O)C1=C(C(=C(C(=C1F)F)F)F)F
Synonym	pentafluorobenzaldehyde,perfluorobenzaldehyde,benzaldehyde, pentafluoro,benzaldehyde, 2,3,4,5,6-pentafluoro,unii-s9yie3jz4k,pentafluor-benzaldehyd,s9yie3jz4k,pubchem4253,pentafluoro-benzaldehyde,acmc-209nqh
IUPAC Name	2,3,4,5,6-pentafluorobenzaldehyde
InChI Key	QJXCFMJTJYCLFG-UHFFFAOYSA-N
Molecular Formula	C₇HF₅O

2,094

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4-Nitrobenzyl bromide, 99%

CAS: 100-11-8 Molecular Formula: C7H6BrNO2 Molecular Weight (g/mol): 216.03 MDL Number: MFCD00007373 InChI Key: VOLRSQPSJGXRNJ-UHFFFAOYSA-N Synonym: 4-nitrobenzyl bromide,1-bromomethyl-4-nitrobenzene,p-nitrobenzyl bromide,nitrobenzyl bromide,alpha-bromo-4-nitrotoluene,benzene, 1-bromomethyl-4-nitro,p-bromomethyl nitrobenzene,4-bromomethyl nitrobenzene,alpha-bromo-p-nitrotoluene,4-nitrobenzylbromide PubChem CID: 66011 ChEBI: CHEBI:62822 IUPAC Name: 1-(bromomethyl)-4-nitrobenzene SMILES: [O-][N+](=O)C1=CC=C(CBr)C=C1

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Specifications

PubChem CID	66011
CAS	100-11-8
Molecular Weight (g/mol)	216.03
ChEBI	CHEBI:62822
MDL Number	MFCD00007373
SMILES	[O-][N+](=O)C1=CC=C(CBr)C=C1
Synonym	4-nitrobenzyl bromide,1-bromomethyl-4-nitrobenzene,p-nitrobenzyl bromide,nitrobenzyl bromide,alpha-bromo-4-nitrotoluene,benzene, 1-bromomethyl-4-nitro,p-bromomethyl nitrobenzene,4-bromomethyl nitrobenzene,alpha-bromo-p-nitrotoluene,4-nitrobenzylbromide
IUPAC Name	1-(bromomethyl)-4-nitrobenzene
InChI Key	VOLRSQPSJGXRNJ-UHFFFAOYSA-N
Molecular Formula	C7H6BrNO2

2,095

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1-Bromo-2,4-dimethoxybenzene, 98%, Thermo Scientific™

CAS: 17715-69-4 Molecular Formula: C8H9BrO2 Molecular Weight (g/mol): 217.06 MDL Number: MFCD00009844 InChI Key: NIUZVSQOXJIHBL-UHFFFAOYSA-N Synonym: 2,4-dimethoxybromobenzene,1,3-dimethoxy-4-bromobenzene,4-bromo-3-methoxyanisole,benzene, 1-bromo-2,4-dimethoxy,4-bromoresorcinol dimethyl ether,4-bromoresocinol dimethyl ether,4-bromo-1,3-dimethoxybenzene,1-brom-2,4-dimethoxybenzol,pubchem3036,acmc-1c5dw PubChem CID: 87266 IUPAC Name: 1-bromo-2,4-dimethoxybenzene SMILES: COC1=CC=C(Br)C(OC)=C1

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Specifications

PubChem CID	87266
CAS	17715-69-4
Molecular Weight (g/mol)	217.06
MDL Number	MFCD00009844
SMILES	COC1=CC=C(Br)C(OC)=C1
Synonym	2,4-dimethoxybromobenzene,1,3-dimethoxy-4-bromobenzene,4-bromo-3-methoxyanisole,benzene, 1-bromo-2,4-dimethoxy,4-bromoresorcinol dimethyl ether,4-bromoresocinol dimethyl ether,4-bromo-1,3-dimethoxybenzene,1-brom-2,4-dimethoxybenzol,pubchem3036,acmc-1c5dw
IUPAC Name	1-bromo-2,4-dimethoxybenzene
InChI Key	NIUZVSQOXJIHBL-UHFFFAOYSA-N
Molecular Formula	C8H9BrO2

2,096

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Salicylhydrazide, 98+%

CAS: 936-02-7 Molecular Formula: C₇H₈N₂O₂ Molecular Weight (g/mol): 152.15 MDL Number: MFCD00007599 InChI Key: XSXYESVZDBAKKT-UHFFFAOYSA-N Synonym: salicylhydrazide,2-hydroxybenzhydrazide,salicyl hydrazide,salicyloyl hydrazide,salicylic acid hydrazide,salicylic hydrazide,salicyloylhydrazine,salicylohydrazide,o-hydroxybenzhydrazide,o-hydroxybenzoylhydrazide PubChem CID: 13637 IUPAC Name: 2-hydroxybenzohydrazide SMILES: C1=CC=C(C(=C1)C(=O)NN)O

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Specifications

PubChem CID	13637
CAS	936-02-7
Molecular Weight (g/mol)	152.15
MDL Number	MFCD00007599
SMILES	C1=CC=C(C(=C1)C(=O)NN)O
Synonym	salicylhydrazide,2-hydroxybenzhydrazide,salicyl hydrazide,salicyloyl hydrazide,salicylic acid hydrazide,salicylic hydrazide,salicyloylhydrazine,salicylohydrazide,o-hydroxybenzhydrazide,o-hydroxybenzoylhydrazide
IUPAC Name	2-hydroxybenzohydrazide
InChI Key	XSXYESVZDBAKKT-UHFFFAOYSA-N
Molecular Formula	C₇H₈N₂O₂

2,097

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3,4,5-Trimethoxyaniline, 97%

CAS: 24313-88-0 Molecular Formula: C₉H₁₃NO₃ Molecular Weight (g/mol): 183.21 MDL Number: MFCD00008393 InChI Key: XEFRNCLPPFDWAC-UHFFFAOYSA-N Synonym: benzenamine, 3,4,5-trimethoxy,3,4,5-trimethoxy aniline,3,4,5-trimethoxybenzenamine,3,4,5-trimethoxy-phenylamine,3,4,5-trimethoxyphenylamine,3,5-trimethoxyaniline,3,4,5-trimethoxyanilin,acmc-1cdy7,intermediates-zcf02654,3,4,5-trimethoxyaniline PubChem CID: 32285 IUPAC Name: 3,4,5-trimethoxyaniline SMILES: COC1=CC(=CC(=C1OC)OC)N

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Specifications

PubChem CID	32285
CAS	24313-88-0
Molecular Weight (g/mol)	183.21
MDL Number	MFCD00008393
SMILES	COC1=CC(=CC(=C1OC)OC)N
Synonym	benzenamine, 3,4,5-trimethoxy,3,4,5-trimethoxy aniline,3,4,5-trimethoxybenzenamine,3,4,5-trimethoxy-phenylamine,3,4,5-trimethoxyphenylamine,3,5-trimethoxyaniline,3,4,5-trimethoxyanilin,acmc-1cdy7,intermediates-zcf02654,3,4,5-trimethoxyaniline
IUPAC Name	3,4,5-trimethoxyaniline
InChI Key	XEFRNCLPPFDWAC-UHFFFAOYSA-N
Molecular Formula	C₉H₁₃NO₃

2,098

3-Hydroxy-4-nitrobenzoic acid, 98%

CAS: 619-14-7 Molecular Formula: C7H5NO5 Molecular Weight (g/mol): 183.12 MDL Number: MFCD00007110 InChI Key: XLDLRRGZWIEEHT-UHFFFAOYSA-N Synonym: 3-hydroxy-4-nitrobenzoic acid,3-hydroxy-4-nitro-benzoic acid,4-nitro-3-hydroxybenzoic acid,benzoic acid, 3-hydroxy-4-nitro,3-hydroxy-4-nitrobenzoicacid,pubchem17135,acmc-209mxi,3-hydroxy4nitrobenzoic acid,ksc356q8j,3-hydroxy-4-nitro benzoic acid PubChem CID: 69265 IUPAC Name: 3-hydroxy-4-nitrobenzoic acid SMILES: OC(=O)C1=CC=C(C(O)=C1)[N+]([O-])=O

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Specifications

PubChem CID	69265
CAS	619-14-7
Molecular Weight (g/mol)	183.12
MDL Number	MFCD00007110
SMILES	OC(=O)C1=CC=C(C(O)=C1)[N+]([O-])=O
Synonym	3-hydroxy-4-nitrobenzoic acid,3-hydroxy-4-nitro-benzoic acid,4-nitro-3-hydroxybenzoic acid,benzoic acid, 3-hydroxy-4-nitro,3-hydroxy-4-nitrobenzoicacid,pubchem17135,acmc-209mxi,3-hydroxy4nitrobenzoic acid,ksc356q8j,3-hydroxy-4-nitro benzoic acid
IUPAC Name	3-hydroxy-4-nitrobenzoic acid
InChI Key	XLDLRRGZWIEEHT-UHFFFAOYSA-N
Molecular Formula	C7H5NO5

2,099

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trans-4-Hydroxystilbene, 98%

CAS: 6554-98-9 Molecular Formula: C₁₄H₁₂O Molecular Weight (g/mol): 196.25 MDL Number: MFCD00002386 InChI Key: QVLMUEOXQBUPAH-VOTSOKGWSA-N Synonym: trans-4-hydroxystilbene,4-hydroxystilbene,4-styrylphenol,4-stilbenol,e-4-stilbenol,4-2-phenylethenyl phenol,4-2-phenylvinyl phenol,4-e-2-phenylethenyl phenol,e-4-hydroxystilbene,stilben-4-ol PubChem CID: 5284650 ChEBI: CHEBI:35101 IUPAC Name: 4-[(E)-2-phenylethenyl]phenol SMILES: C1=CC=C(C=C1)C=CC2=CC=C(C=C2)O

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Specifications

PubChem CID	5284650
CAS	6554-98-9
Molecular Weight (g/mol)	196.25
ChEBI	CHEBI:35101
MDL Number	MFCD00002386
SMILES	C1=CC=C(C=C1)C=CC2=CC=C(C=C2)O
Synonym	trans-4-hydroxystilbene,4-hydroxystilbene,4-styrylphenol,4-stilbenol,e-4-stilbenol,4-2-phenylethenyl phenol,4-2-phenylvinyl phenol,4-e-2-phenylethenyl phenol,e-4-hydroxystilbene,stilben-4-ol
IUPAC Name	4-[(E)-2-phenylethenyl]phenol
InChI Key	QVLMUEOXQBUPAH-VOTSOKGWSA-N
Molecular Formula	C₁₄H₁₂O

2,100

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Methyl 4-hydroxy-3-iodobenzoate, 98%

CAS: 15126-06-4 Molecular Formula: C8H7IO3 Molecular Weight (g/mol): 278.045 MDL Number: MFCD05664378 InChI Key: PXNOLLHARLSLHY-UHFFFAOYSA-N Synonym: methyl4-hydroxy-3-iodobenzoate,methyl 3-iodo-4-hydroxybenzoate,methyl 4-hydroxy-3-iodo-benzoate,4-hydroxy-3-iodobenzoic acid methyl ester,4-hydroxy-3-iodo-benzoic acid methyl ester,benzoic acid, 4-hydroxy-3-iodo-, methyl ester,4-hydroxy-3-iodo-benzoicacidmethylester,acmc-209zk0,ksc495e2f,methyl 4-hydroxy-3-iodbenzoate PubChem CID: 11346465 IUPAC Name: methyl 4-hydroxy-3-iodobenzoate SMILES: COC(=O)C1=CC(=C(C=C1)O)I

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Specifications

PubChem CID	11346465
CAS	15126-06-4
Molecular Weight (g/mol)	278.045
MDL Number	MFCD05664378
SMILES	COC(=O)C1=CC(=C(C=C1)O)I
Synonym	methyl4-hydroxy-3-iodobenzoate,methyl 3-iodo-4-hydroxybenzoate,methyl 4-hydroxy-3-iodo-benzoate,4-hydroxy-3-iodobenzoic acid methyl ester,4-hydroxy-3-iodo-benzoic acid methyl ester,benzoic acid, 4-hydroxy-3-iodo-, methyl ester,4-hydroxy-3-iodo-benzoicacidmethylester,acmc-209zk0,ksc495e2f,methyl 4-hydroxy-3-iodbenzoate
IUPAC Name	methyl 4-hydroxy-3-iodobenzoate
InChI Key	PXNOLLHARLSLHY-UHFFFAOYSA-N
Molecular Formula	C8H7IO3

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