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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2,131 – 2,145 of 64,662 results

2,131

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4-(Chloromethyl)-1,2-diphenylethane, 98%

CAS: 80676-35-3 Molecular Formula: C15H15Cl Molecular Weight (g/mol): 230.74 MDL Number: MFCD02093918 InChI Key: KPTSLALCCGBCOB-UHFFFAOYSA-N Synonym: 4-chloromethyl dibenzyl,1-chloromethyl-4-phenethylbenzene,4-chloromethyl-1,2-diphenylethane,1-chloromethyl-4-2-phenylethyl benzene,4-chloromethyl bibenzyl,4-phenethylbenzyl chloride PubChem CID: 2733990 IUPAC Name: 1-(chloromethyl)-4-(2-phenylethyl)benzene SMILES: ClCC1=CC=C(CCC2=CC=CC=C2)C=C1

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Specifications

PubChem CID	2733990
CAS	80676-35-3
Molecular Weight (g/mol)	230.74
MDL Number	MFCD02093918
SMILES	ClCC1=CC=C(CCC2=CC=CC=C2)C=C1
Synonym	4-chloromethyl dibenzyl,1-chloromethyl-4-phenethylbenzene,4-chloromethyl-1,2-diphenylethane,1-chloromethyl-4-2-phenylethyl benzene,4-chloromethyl bibenzyl,4-phenethylbenzyl chloride
IUPAC Name	1-(chloromethyl)-4-(2-phenylethyl)benzene
InChI Key	KPTSLALCCGBCOB-UHFFFAOYSA-N
Molecular Formula	C15H15Cl

2,132

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4-Fluoro-3-(hydroxymethyl)benzeneboronic acid, 98%

CAS: 481681-02-1 Molecular Formula: C7H8BFO3 Molecular Weight (g/mol): 169.95 MDL Number: MFCD08235075 InChI Key: PWMOQHMTXJYUGE-UHFFFAOYSA-N Synonym: 4-fluoro-3-hydroxymethyl phenyl boronic acid,4-fluoro-3-hydroxymethyl phenylboronic acid,4-fluoro-3-hydroxymethyl benzeneboronic acid,4-fluoro-3-hydroxymethylphenylboronic acid,boronic acid, 4-fluoro-3-hydroxymethyl phenyl,boronic acid,b-4-fluoro-3-hydroxymethyl phenyl,pubchem23767,acmc-209kcj,ksc496e1t PubChem CID: 21865588 IUPAC Name: [4-fluoro-3-(hydroxymethyl)phenyl]boronic acid SMILES: OCC1=C(F)C=CC(=C1)B(O)O

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Specifications

PubChem CID	21865588
CAS	481681-02-1
Molecular Weight (g/mol)	169.95
MDL Number	MFCD08235075
SMILES	OCC1=C(F)C=CC(=C1)B(O)O
Synonym	4-fluoro-3-hydroxymethyl phenyl boronic acid,4-fluoro-3-hydroxymethyl phenylboronic acid,4-fluoro-3-hydroxymethyl benzeneboronic acid,4-fluoro-3-hydroxymethylphenylboronic acid,boronic acid, 4-fluoro-3-hydroxymethyl phenyl,boronic acid,b-4-fluoro-3-hydroxymethyl phenyl,pubchem23767,acmc-209kcj,ksc496e1t
IUPAC Name	[4-fluoro-3-(hydroxymethyl)phenyl]boronic acid
InChI Key	PWMOQHMTXJYUGE-UHFFFAOYSA-N
Molecular Formula	C7H8BFO3

2,133

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4-Fluorophenylacetonitrile, 99%

CAS: 459-22-3 Molecular Formula: C₈H₆FN Molecular Weight (g/mol): 135.14 MDL Number: MFCD00001917 InChI Key: JHQBLYITVCBGTO-UHFFFAOYSA-N Synonym: 4-fluorophenylacetonitrile,4-fluorobenzyl cyanide,p-fluorobenzyl cyanide,benzeneacetonitrile, 4-fluoro,4-fluorobenzylcyanide,4-fluorobenzeneacetonitrile,p-fluorophenylacetonitrile,2-4-fluorophenyl acetonitrile,4-fluorobenzylnitrile,acetonitrile, p-fluorophenyl PubChem CID: 68016 IUPAC Name: 2-(4-fluorophenyl)acetonitrile SMILES: C1=CC(=CC=C1CC#N)F

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Specifications

PubChem CID	68016
CAS	459-22-3
Molecular Weight (g/mol)	135.14
MDL Number	MFCD00001917
SMILES	C1=CC(=CC=C1CC#N)F
Synonym	4-fluorophenylacetonitrile,4-fluorobenzyl cyanide,p-fluorobenzyl cyanide,benzeneacetonitrile, 4-fluoro,4-fluorobenzylcyanide,4-fluorobenzeneacetonitrile,p-fluorophenylacetonitrile,2-4-fluorophenyl acetonitrile,4-fluorobenzylnitrile,acetonitrile, p-fluorophenyl
IUPAC Name	2-(4-fluorophenyl)acetonitrile
InChI Key	JHQBLYITVCBGTO-UHFFFAOYSA-N
Molecular Formula	C₈H₆FN

2,134

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2-Hydroxybenzyl alcohol, 99%

CAS: 90-01-7 Molecular Formula: C7H8O2 Molecular Weight (g/mol): 124.14 MDL Number: MFCD00004617 InChI Key: CQRYARSYNCAZFO-UHFFFAOYSA-N Synonym: salicyl alcohol,2-hydroxybenzyl alcohol,saligenin,2-hydroxymethyl phenol,2-methylolphenol,o-hydroxybenzyl alcohol,saligenol,benzenemethanol, 2-hydroxy,diathesin,o-methylolphenol PubChem CID: 5146 ChEBI: CHEBI:16464 IUPAC Name: 2-(hydroxymethyl)phenol SMILES: OCC1=CC=CC=C1O

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Specifications

PubChem CID	5146
CAS	90-01-7
Molecular Weight (g/mol)	124.14
ChEBI	CHEBI:16464
MDL Number	MFCD00004617
SMILES	OCC1=CC=CC=C1O
Synonym	salicyl alcohol,2-hydroxybenzyl alcohol,saligenin,2-hydroxymethyl phenol,2-methylolphenol,o-hydroxybenzyl alcohol,saligenol,benzenemethanol, 2-hydroxy,diathesin,o-methylolphenol
IUPAC Name	2-(hydroxymethyl)phenol
InChI Key	CQRYARSYNCAZFO-UHFFFAOYSA-N
Molecular Formula	C7H8O2

2,135

3,4,6-Tri-O-benzyl-D-galactal, Thermo Scientific Chemicals

CAS: 80040-79-5 Molecular Formula: C27H28O4 Molecular Weight (g/mol): 416.52 MDL Number: MFCD09039276 InChI Key: MXYLLYBWXIUMIT-ZONZVBGPSA-N Synonym: tri-o-benzyl-d-galactal,3,4,6-tri-o-benzyl-d-galactal,2r,3r,4r-3,4-bis benzyloxy-2-benzyloxy methyl-3,4-dihydro-2h-pyran,3-o,4-o,6-o-tribenzyl-1,2-dideoxy-d-lyxo-1-hexenopyranose,1,5-anhydro-2-deoxy-d-lyxo-hex-1-enitol 3,4,6-tribenzyl ether,2r,3r,4r-3,4-bis phenylmethoxy-2-phenylmethoxymethyl-3,4-dihydro-2h-pyran PubChem CID: 2734741 IUPAC Name: (2R,3R,4R)-3,4-bis(benzyloxy)-2-[(benzyloxy)methyl]-3,4-dihydro-2H-pyran SMILES: C(OCC1=CC=CC=C1)[C@H]1OC=C[C@@H](OCC2=CC=CC=C2)[C@H]1OCC1=CC=CC=C1

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Specifications

PubChem CID	2734741
CAS	80040-79-5
Molecular Weight (g/mol)	416.52
MDL Number	MFCD09039276
SMILES	C(OCC1=CC=CC=C1)[C@H]1OC=C[C@@H](OCC2=CC=CC=C2)[C@H]1OCC1=CC=CC=C1
Synonym	tri-o-benzyl-d-galactal,3,4,6-tri-o-benzyl-d-galactal,2r,3r,4r-3,4-bis benzyloxy-2-benzyloxy methyl-3,4-dihydro-2h-pyran,3-o,4-o,6-o-tribenzyl-1,2-dideoxy-d-lyxo-1-hexenopyranose,1,5-anhydro-2-deoxy-d-lyxo-hex-1-enitol 3,4,6-tribenzyl ether,2r,3r,4r-3,4-bis phenylmethoxy-2-phenylmethoxymethyl-3,4-dihydro-2h-pyran
IUPAC Name	(2R,3R,4R)-3,4-bis(benzyloxy)-2-[(benzyloxy)methyl]-3,4-dihydro-2H-pyran
InChI Key	MXYLLYBWXIUMIT-ZONZVBGPSA-N
Molecular Formula	C27H28O4

2,136

1-[4-(Bromomethyl)phenyl]-1H-1,2,4-triazole, 97%, Thermo Scientific™

CAS: 58419-69-5 Molecular Formula: C9H8BrN3 Molecular Weight (g/mol): 238.088 MDL Number: MFCD04113600 InChI Key: NOUAEJFAVOHNSY-UHFFFAOYSA-N Synonym: 1-4-bromomethyl phenyl-1h-1,2,4-triazole,1-4-bromomethyl phenyl-1,2,4-triazole,1h-1,2,4-triazole, 1-4-bromomethyl phenyl,1-4-bromomethylphenyl-1h-1,2,4-triazole,zlchem 1040,1-4-bromomethyl phenyl-1h-1,2,4-triazol,1-4-bromomethyl-phenyl-1h-1,2,4-triazole,1-4-bromo-methyl phenyl-1h-1,2,4-triazole PubChem CID: 2776489 IUPAC Name: 1-[4-(bromomethyl)phenyl]-1,2,4-triazole SMILES: C1=CC(=CC=C1CBr)N2C=NC=N2

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Specifications

PubChem CID	2776489
CAS	58419-69-5
Molecular Weight (g/mol)	238.088
MDL Number	MFCD04113600
SMILES	C1=CC(=CC=C1CBr)N2C=NC=N2
Synonym	1-4-bromomethyl phenyl-1h-1,2,4-triazole,1-4-bromomethyl phenyl-1,2,4-triazole,1h-1,2,4-triazole, 1-4-bromomethyl phenyl,1-4-bromomethylphenyl-1h-1,2,4-triazole,zlchem 1040,1-4-bromomethyl phenyl-1h-1,2,4-triazol,1-4-bromomethyl-phenyl-1h-1,2,4-triazole,1-4-bromo-methyl phenyl-1h-1,2,4-triazole
IUPAC Name	1-[4-(bromomethyl)phenyl]-1,2,4-triazole
InChI Key	NOUAEJFAVOHNSY-UHFFFAOYSA-N
Molecular Formula	C9H8BrN3

2,137

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PubChem CID	5146
CAS	90-01-7
Molecular Weight (g/mol)	124.14
ChEBI	CHEBI:16464
MDL Number	MFCD00004617
SMILES	OCC1=CC=CC=C1O
Synonym	salicyl alcohol,2-hydroxybenzyl alcohol,saligenin,2-hydroxymethyl phenol,2-methylolphenol,o-hydroxybenzyl alcohol,saligenol,benzenemethanol, 2-hydroxy,diathesin,o-methylolphenol
IUPAC Name	2-(hydroxymethyl)phenol
InChI Key	CQRYARSYNCAZFO-UHFFFAOYSA-N
Molecular Formula	C7H8O2

2,138

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trans-beta-Methylstyrene, 97%, stabilized

CAS: 873-66-5 Molecular Formula: C₉H₁₀ Molecular Weight (g/mol): 118.18 MDL Number: MFCD00009280 InChI Key: QROGIFZRVHSFLM-QHHAFSJGSA-N Synonym: beta-methylstyrene,trans-beta-methylstyrene,1-phenylpropene,isoallylbenzene,propenylbenzene,trans-1-phenyl-1-propene,1-propenylbenzene,trans-propenylbenzene,1-phenyl-1-propene,benzene, 1-propenyl PubChem CID: 252325 IUPAC Name: [(E)-prop-1-enyl]benzene SMILES: CC=CC1=CC=CC=C1

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PubChem CID	252325
CAS	873-66-5
Molecular Weight (g/mol)	118.18
MDL Number	MFCD00009280
SMILES	CC=CC1=CC=CC=C1
Synonym	beta-methylstyrene,trans-beta-methylstyrene,1-phenylpropene,isoallylbenzene,propenylbenzene,trans-1-phenyl-1-propene,1-propenylbenzene,trans-propenylbenzene,1-phenyl-1-propene,benzene, 1-propenyl
IUPAC Name	[(E)-prop-1-enyl]benzene
InChI Key	QROGIFZRVHSFLM-QHHAFSJGSA-N
Molecular Formula	C₉H₁₀

2,139

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3-Methylstyrene, 98%, stab. with 0.1% 4-tert-butylcatechol

CAS: 100-80-1 Molecular Formula: C9H10 Molecular Weight (g/mol): 118.179 MDL Number: MFCD00008617 InChI Key: JZHGRUMIRATHIU-UHFFFAOYSA-N Synonym: 3-methylstyrene,3-vinyltoluene,1-methyl-3-vinylbenzene,m-vinyltoluene,m-methylstyrene,benzene, 1-ethenyl-3-methyl,styrene, m-methyl,m-methyl styrene,meta-methylstyrene,unii-ffk4i9430g PubChem CID: 7529 IUPAC Name: 1-ethenyl-3-methylbenzene SMILES: CC1=CC=CC(=C1)C=C

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PubChem CID	7529
CAS	100-80-1
Molecular Weight (g/mol)	118.179
MDL Number	MFCD00008617
SMILES	CC1=CC=CC(=C1)C=C
Synonym	3-methylstyrene,3-vinyltoluene,1-methyl-3-vinylbenzene,m-vinyltoluene,m-methylstyrene,benzene, 1-ethenyl-3-methyl,styrene, m-methyl,m-methyl styrene,meta-methylstyrene,unii-ffk4i9430g
IUPAC Name	1-ethenyl-3-methylbenzene
InChI Key	JZHGRUMIRATHIU-UHFFFAOYSA-N
Molecular Formula	C9H10

2,140

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Cinnamyl bromide, predominantly trans, 95%

CAS: 4392-24-9 Molecular Formula: C9H9Br Molecular Weight (g/mol): 197.075 MDL Number: MFCD00000245 InChI Key: RUROFEVDCUGKHD-QPJJXVBHSA-N Synonym: cinnamyl bromide,3-bromoprop-1-en-1-yl benzene,e-3-bromoprop-1-en-1-yl benzene,3-bromo-1-phenyl-1-propene,3-bromo-1-phenyl propene-1,e-3-bromoprop-1-enyl benzene,3-bromo-propenyl-benzene,e-cinnamyl bromide,trans-cinnamyl bromide PubChem CID: 5357478 IUPAC Name: [(E)-3-bromoprop-1-enyl]benzene SMILES: C1=CC=C(C=C1)C=CCBr

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PubChem CID	5357478
CAS	4392-24-9
Molecular Weight (g/mol)	197.075
MDL Number	MFCD00000245
SMILES	C1=CC=C(C=C1)C=CCBr
Synonym	cinnamyl bromide,3-bromoprop-1-en-1-yl benzene,e-3-bromoprop-1-en-1-yl benzene,3-bromo-1-phenyl-1-propene,3-bromo-1-phenyl propene-1,e-3-bromoprop-1-enyl benzene,3-bromo-propenyl-benzene,e-cinnamyl bromide,trans-cinnamyl bromide
IUPAC Name	[(E)-3-bromoprop-1-enyl]benzene
InChI Key	RUROFEVDCUGKHD-QPJJXVBHSA-N
Molecular Formula	C9H9Br

2,141

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trans-2-(4-chlorophenyl)vinylboronic acid, 97%

CAS: 154230-29-2 Molecular Formula: C8H8BClO2 Molecular Weight (g/mol): 182.41 MDL Number: MFCD02093767 InChI Key: HWSDRAPTZRYXHN-AATRIKPKSA-N Synonym: trans-2-4-chlorophenyl vinylboronic acid,4-chlorostyryl boronic acid,e-2-4-chlorophenyl ethenyl boronic acid,e-4-chlorostyrylboronic acid,boronic acid, 1e-2-4-chlorophenyl ethenyl,e-2-4-chlorophenyl ethenylboronic acid,trans-2-4-chlorophenyl ethenylboronic acid,rarechem al ba 0169,e-2-4-chlorophenyl vinyl boronic acid,4-chlorostyrylboronic acid PubChem CID: 642694 IUPAC Name: [(E)-2-(4-chlorophenyl)ethenyl]boronic acid SMILES: OB(O)\C=C\C1=CC=C(Cl)C=C1

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Specifications

PubChem CID	642694
CAS	154230-29-2
Molecular Weight (g/mol)	182.41
MDL Number	MFCD02093767
SMILES	OB(O)\C=C\C1=CC=C(Cl)C=C1
Synonym	trans-2-4-chlorophenyl vinylboronic acid,4-chlorostyryl boronic acid,e-2-4-chlorophenyl ethenyl boronic acid,e-4-chlorostyrylboronic acid,boronic acid, 1e-2-4-chlorophenyl ethenyl,e-2-4-chlorophenyl ethenylboronic acid,trans-2-4-chlorophenyl ethenylboronic acid,rarechem al ba 0169,e-2-4-chlorophenyl vinyl boronic acid,4-chlorostyrylboronic acid
IUPAC Name	[(E)-2-(4-chlorophenyl)ethenyl]boronic acid
InChI Key	HWSDRAPTZRYXHN-AATRIKPKSA-N
Molecular Formula	C8H8BClO2

2,142

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4-Fluorostyrene, 97+%, stab. with 0.1% 4-tert-butylcatechol

CAS: 405-99-2 Molecular Formula: C8H7F Molecular Weight (g/mol): 122.142 MDL Number: MFCD00000361 InChI Key: JWVTWJNGILGLAT-UHFFFAOYSA-N Synonym: 4-fluorostyrene,1-fluoro-4-vinylbenzene,p-fluorostyrene,benzene, 1-ethenyl-4-fluoro,styrene, p-fluoro,para-fluorostyrene,1-fluoro-4-vinyl-benzene,4-fluoro-styrene,acmc-1cszp PubChem CID: 67883 IUPAC Name: 1-ethenyl-4-fluorobenzene SMILES: C=CC1=CC=C(C=C1)F

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Specifications

PubChem CID	67883
CAS	405-99-2
Molecular Weight (g/mol)	122.142
MDL Number	MFCD00000361
SMILES	C=CC1=CC=C(C=C1)F
Synonym	4-fluorostyrene,1-fluoro-4-vinylbenzene,p-fluorostyrene,benzene, 1-ethenyl-4-fluoro,styrene, p-fluoro,para-fluorostyrene,1-fluoro-4-vinyl-benzene,4-fluoro-styrene,acmc-1cszp
IUPAC Name	1-ethenyl-4-fluorobenzene
InChI Key	JWVTWJNGILGLAT-UHFFFAOYSA-N
Molecular Formula	C8H7F

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4-Vinylbenzoic acid, 96%

CAS: 1075-49-6 Molecular Formula: C₉H₈O₂ Molecular Weight (g/mol): 148.16 MDL Number: MFCD00002569 InChI Key: IRQWEODKXLDORP-UHFFFAOYSA-N Synonym: 4-vinylbenzoic acid,p-vinylbenzoic acid,4-carboxystyrene,benzoic acid, 4-ethenyl,styrene-4-carboxylic acid,4-vinyl-benzoic acid,p-vinyl benzoic acid,4-vinyl benzoic acid,para-vinyl benzoic acid,pubchem12624 PubChem CID: 14098 IUPAC Name: 4-ethenylbenzoic acid SMILES: C=CC1=CC=C(C=C1)C(=O)O

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Specifications

PubChem CID	14098
CAS	1075-49-6
Molecular Weight (g/mol)	148.16
MDL Number	MFCD00002569
SMILES	C=CC1=CC=C(C=C1)C(=O)O
Synonym	4-vinylbenzoic acid,p-vinylbenzoic acid,4-carboxystyrene,benzoic acid, 4-ethenyl,styrene-4-carboxylic acid,4-vinyl-benzoic acid,p-vinyl benzoic acid,4-vinyl benzoic acid,para-vinyl benzoic acid,pubchem12624
IUPAC Name	4-ethenylbenzoic acid
InChI Key	IRQWEODKXLDORP-UHFFFAOYSA-N
Molecular Formula	C₉H₈O₂

2,144

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trans-Cinnamoyl chloride, 97%

CAS: 17082-09-6 Molecular Formula: C9H7ClO Molecular Weight (g/mol): 166.60 MDL Number: MFCD00000732 InChI Key: WOGITNXCNOTRLK-VOTSOKGWSA-N Synonym: cinnamoyl chloride,cinnamic acid chloride,cinnamic chloride,trans-3-phenylacryloyl chloride,2-propenoyl chloride, 3-phenyl,cinnamoylchloride,e-cinnamoyl chloride,trans-cinnamoyl chloride,2e-3-phenylprop-2-enoyl chloride,3-phenyl-2-propenoyl chloride PubChem CID: 5354261 IUPAC Name: (2E)-3-phenylprop-2-enoyl chloride SMILES: ClC(=O)\C=C\C1=CC=CC=C1

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Specifications

PubChem CID	5354261
CAS	17082-09-6
Molecular Weight (g/mol)	166.60
MDL Number	MFCD00000732
SMILES	ClC(=O)\C=C\C1=CC=CC=C1
Synonym	cinnamoyl chloride,cinnamic acid chloride,cinnamic chloride,trans-3-phenylacryloyl chloride,2-propenoyl chloride, 3-phenyl,cinnamoylchloride,e-cinnamoyl chloride,trans-cinnamoyl chloride,2e-3-phenylprop-2-enoyl chloride,3-phenyl-2-propenoyl chloride
IUPAC Name	(2E)-3-phenylprop-2-enoyl chloride
InChI Key	WOGITNXCNOTRLK-VOTSOKGWSA-N
Molecular Formula	C9H7ClO

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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

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