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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3,271 – 3,285 of 64,662 results

3,271

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Octocrylene, 95%, Spectrum™ Chemical

CAS: 6197-30-4 Molecular Formula: C24H27NO2 Molecular Weight (g/mol): 361.49 MDL Number: MFCD00059260 InChI Key: FMJSMJQBSVNSBF-UHFFFAOYNA-N IUPAC Name: 2-ethylhexyl 2-cyano-3,3-diphenylprop-2-enoate SMILES: CCCCC(CC)COC(=O)C(C#N)=C(C1=CC=CC=C1)C1=CC=CC=C1

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CAS	6197-30-4
Molecular Weight (g/mol)	361.49
MDL Number	MFCD00059260
SMILES	CCCCC(CC)COC(=O)C(C#N)=C(C1=CC=CC=C1)C1=CC=CC=C1
IUPAC Name	2-ethylhexyl 2-cyano-3,3-diphenylprop-2-enoate
InChI Key	FMJSMJQBSVNSBF-UHFFFAOYNA-N
Molecular Formula	C24H27NO2

3,272

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2-Amino-6-chlorobenzoic acid, 97+%

CAS: 2148-56-3 Molecular Formula: C7H6ClNO2 Molecular Weight (g/mol): 171.58 MDL Number: MFCD00051530 InChI Key: SZCPTRGBOVXVCA-UHFFFAOYSA-N Synonym: 6-chloroanthranilic acid,benzoic acid, 2-amino-6-chloro,2-amino-6-chloro-benzoic acid,6-chloranthranilsaure,pubchem9876,acmc-1cngq,6-chloro anthranilic acid,2-carboxy-3-chloroaniline,2amino-6-chlorobenzoic acid,ksc201s6b PubChem CID: 75071 IUPAC Name: 2-amino-6-chlorobenzoic acid SMILES: C1=CC(=C(C(=C1)Cl)C(=O)O)N

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PubChem CID	75071
CAS	2148-56-3
Molecular Weight (g/mol)	171.58
MDL Number	MFCD00051530
SMILES	C1=CC(=C(C(=C1)Cl)C(=O)O)N
Synonym	6-chloroanthranilic acid,benzoic acid, 2-amino-6-chloro,2-amino-6-chloro-benzoic acid,6-chloranthranilsaure,pubchem9876,acmc-1cngq,6-chloro anthranilic acid,2-carboxy-3-chloroaniline,2amino-6-chlorobenzoic acid,ksc201s6b
IUPAC Name	2-amino-6-chlorobenzoic acid
InChI Key	SZCPTRGBOVXVCA-UHFFFAOYSA-N
Molecular Formula	C7H6ClNO2

3,273

[3-(3-Methyl-1,2,4-oxadiazol-5-yl)phenyl]methanol, 97%, Thermo Scientific™

CAS: 916766-84-2 Molecular Formula: C10H10N2O2 Molecular Weight (g/mol): 190.202 MDL Number: MFCD09817471 InChI Key: ZBIYTANHMLGZFB-UHFFFAOYSA-N Synonym: 3-3-methyl-1,2,4-oxadiazol-5-yl phenyl methanol,3-3-methyl-1,2,4-oxadiazol-5-yl benzyl alcohol,3-3-methyl-1,2,4-oxadiazol-5-yl phenyl methan-1-ol,benzenemethanol,3-3-methyl-1,2,4-oxadiazol-5-yl PubChem CID: 24229498 IUPAC Name: [3-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]methanol SMILES: CC1=NOC(=N1)C2=CC(=CC=C2)CO

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Specifications

PubChem CID	24229498
CAS	916766-84-2
Molecular Weight (g/mol)	190.202
MDL Number	MFCD09817471
SMILES	CC1=NOC(=N1)C2=CC(=CC=C2)CO
Synonym	3-3-methyl-1,2,4-oxadiazol-5-yl phenyl methanol,3-3-methyl-1,2,4-oxadiazol-5-yl benzyl alcohol,3-3-methyl-1,2,4-oxadiazol-5-yl phenyl methan-1-ol,benzenemethanol,3-3-methyl-1,2,4-oxadiazol-5-yl
IUPAC Name	[3-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]methanol
InChI Key	ZBIYTANHMLGZFB-UHFFFAOYSA-N
Molecular Formula	C10H10N2O2

3,274

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4-(Bromomethyl)benzeneboronic acid, tech. 85%

CAS: 68162-47-0 Molecular Formula: C7H8BBrO2 Molecular Weight (g/mol): 214.85 MDL Number: MFCD01318113 InChI Key: PDNOURKEZJZJNZ-UHFFFAOYSA-N Synonym: 4-bromomethyl phenylboronic acid,4-bromomethylphenylboronic acid,4-bromomethyl phenyl boronic acid,4-bromomethyl benzeneboronic acid,4-boronobenzyl bromide,p-bromomethyl phenylboronic acid,4-bromomethylphenyl boronic acid,4-bromomethylbenzeneboronic acid,boronic acid, 4-bromomethyl phenyl PubChem CID: 2735593 IUPAC Name: [4-(bromomethyl)phenyl]boronic acid SMILES: OB(O)C1=CC=C(CBr)C=C1

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Specifications

PubChem CID	2735593
CAS	68162-47-0
Molecular Weight (g/mol)	214.85
MDL Number	MFCD01318113
SMILES	OB(O)C1=CC=C(CBr)C=C1
Synonym	4-bromomethyl phenylboronic acid,4-bromomethylphenylboronic acid,4-bromomethyl phenyl boronic acid,4-bromomethyl benzeneboronic acid,4-boronobenzyl bromide,p-bromomethyl phenylboronic acid,4-bromomethylphenyl boronic acid,4-bromomethylbenzeneboronic acid,boronic acid, 4-bromomethyl phenyl
IUPAC Name	[4-(bromomethyl)phenyl]boronic acid
InChI Key	PDNOURKEZJZJNZ-UHFFFAOYSA-N
Molecular Formula	C7H8BBrO2

3,275

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3-Aminobenzyl alcohol, 97%

CAS: 1877-77-6 Molecular Formula: C7H9NO Molecular Weight (g/mol): 123.16 MDL Number: MFCD00007817 InChI Key: OJZQOQNSUZLSMV-UHFFFAOYSA-N Synonym: 3-aminobenzyl alcohol,3-aminophenyl methanol,m-aminobenzyl alcohol,3-aminobenzylalcohol,3-hydroxymethyl aniline,benzenemethanol, 3-amino,benzyl alcohol, m-amino,3-aminobenzenemethanol,unii-kn96abq0sp,m-aminophenylcarbinol PubChem CID: 80293 IUPAC Name: (3-aminophenyl)methanol SMILES: NC1=CC=CC(CO)=C1

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Specifications

PubChem CID	80293
CAS	1877-77-6
Molecular Weight (g/mol)	123.16
MDL Number	MFCD00007817
SMILES	NC1=CC=CC(CO)=C1
Synonym	3-aminobenzyl alcohol,3-aminophenyl methanol,m-aminobenzyl alcohol,3-aminobenzylalcohol,3-hydroxymethyl aniline,benzenemethanol, 3-amino,benzyl alcohol, m-amino,3-aminobenzenemethanol,unii-kn96abq0sp,m-aminophenylcarbinol
IUPAC Name	(3-aminophenyl)methanol
InChI Key	OJZQOQNSUZLSMV-UHFFFAOYSA-N
Molecular Formula	C7H9NO

3,276

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o-Fluorotoluene, 99%

CAS: 95-52-3 MDL Number: MFCD00000322 InChI Key: MMZYCBHLNZVROM-UHFFFAOYSA-N Synonym: 2-fluorotoluene,o-fluorotoluene,benzene, 1-fluoro-2-methyl,toluene, o-fluoro,1-methyl-2-fluorobenzene,unii-l55xkb3k7h,1-fluoro-2-methyl-benzene,ortho-fluorotoluene,fluorotoluene,l55xkb3k7h PubChem CID: 7241 IUPAC Name: 1-fluoro-2-methylbenzene SMILES: CC1=CC=CC=C1F

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PubChem CID	7241
CAS	95-52-3
MDL Number	MFCD00000322
SMILES	CC1=CC=CC=C1F
Synonym	2-fluorotoluene,o-fluorotoluene,benzene, 1-fluoro-2-methyl,toluene, o-fluoro,1-methyl-2-fluorobenzene,unii-l55xkb3k7h,1-fluoro-2-methyl-benzene,ortho-fluorotoluene,fluorotoluene,l55xkb3k7h
IUPAC Name	1-fluoro-2-methylbenzene
InChI Key	MMZYCBHLNZVROM-UHFFFAOYSA-N

3,277

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Tosylmethyl isocyanide, 98%

CAS: 36635-61-7 Molecular Formula: C9H9NO2S Molecular Weight (g/mol): 195.24 MDL Number: MFCD00000005 InChI Key: CFOAUYCPAUGDFF-UHFFFAOYSA-N Synonym: tosylmethyl isocyanide,tosmic,p-toluenesulfonylmethyl isocyanide,4-toluenesulphonylmethyl isocyanide,4-toluenesulfonylmethyl isocyanide,tosylmethylisocyanide,1-isocyanomethylsulfonyl-4-methylbenzene,p-tolylsulfonyl methyl isocyanide,unii-c35fd6olh8,1-isocyanomethyl sulfonyl-4-methylbenzene PubChem CID: 161915 IUPAC Name: 1-(isocyanomethylsulfonyl)-4-methylbenzene SMILES: CC1=CC=C(C=C1)S(=O)(=O)C[N+]#[C-]

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Specifications

PubChem CID	161915
CAS	36635-61-7
Molecular Weight (g/mol)	195.24
MDL Number	MFCD00000005
SMILES	CC1=CC=C(C=C1)S(=O)(=O)C[N+]#[C-]
Synonym	tosylmethyl isocyanide,tosmic,p-toluenesulfonylmethyl isocyanide,4-toluenesulphonylmethyl isocyanide,4-toluenesulfonylmethyl isocyanide,tosylmethylisocyanide,1-isocyanomethylsulfonyl-4-methylbenzene,p-tolylsulfonyl methyl isocyanide,unii-c35fd6olh8,1-isocyanomethyl sulfonyl-4-methylbenzene
IUPAC Name	1-(isocyanomethylsulfonyl)-4-methylbenzene
InChI Key	CFOAUYCPAUGDFF-UHFFFAOYSA-N
Molecular Formula	C9H9NO2S

3,278

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5-Aminosalicylic acid, 99%

CAS: 89-57-6 Molecular Formula: C₇H₇NO₃ Molecular Weight (g/mol): 153.14 MDL Number: MFCD00007877 InChI Key: KBOPZPXVLCULAV-UHFFFAOYSA-N Synonym: 5-aminosalicylic acid,mesalazine,mesalamine,pentasa,claversal,asacol,canasa,salofalk,rowasa,5-asa PubChem CID: 4075 ChEBI: CHEBI:6775 IUPAC Name: 5-amino-2-hydroxybenzoic acid SMILES: C1=CC(=C(C=C1N)C(=O)O)O

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PubChem CID	4075
CAS	89-57-6
Molecular Weight (g/mol)	153.14
ChEBI	CHEBI:6775
MDL Number	MFCD00007877
SMILES	C1=CC(=C(C=C1N)C(=O)O)O
Synonym	5-aminosalicylic acid,mesalazine,mesalamine,pentasa,claversal,asacol,canasa,salofalk,rowasa,5-asa
IUPAC Name	5-amino-2-hydroxybenzoic acid
InChI Key	KBOPZPXVLCULAV-UHFFFAOYSA-N
Molecular Formula	C₇H₇NO₃

3,279

4-Iodo-2-methoxyaniline, 97%

CAS: 338454-80-1 Molecular Formula: C₇H₈INO Molecular Weight (g/mol): 249.05 InChI Key: AEPCMLLYVXZOLQ-UHFFFAOYSA-N Synonym: 4-iodo-2-methoxy-phenylamine,2-amino-5-iodoanisole,benzenamine, 4-iodo-2-methoxy,4-iodo-o-anisidine,2-methoxy-4-iodoaniline,acmc-1aizp,2-amino-5-iodoanisole 4-iodo-2-methoxyaniline PubChem CID: 46737999 IUPAC Name: 4-iodo-2-methoxyaniline SMILES: COC1=C(C=CC(=C1)I)N

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Specifications

PubChem CID	46737999
CAS	338454-80-1
Molecular Weight (g/mol)	249.05
SMILES	COC1=C(C=CC(=C1)I)N
Synonym	4-iodo-2-methoxy-phenylamine,2-amino-5-iodoanisole,benzenamine, 4-iodo-2-methoxy,4-iodo-o-anisidine,2-methoxy-4-iodoaniline,acmc-1aizp,2-amino-5-iodoanisole 4-iodo-2-methoxyaniline
IUPAC Name	4-iodo-2-methoxyaniline
InChI Key	AEPCMLLYVXZOLQ-UHFFFAOYSA-N
Molecular Formula	C₇H₈INO

3,280

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3-Methoxyphenethyl alcohol, 97%

CAS: 5020-41-7 Molecular Formula: C₉H₁₂O₂ Molecular Weight (g/mol): 152.19 MDL Number: MFCD00002893 InChI Key: UPPGEJSCUZMCMW-UHFFFAOYSA-N Synonym: 2-3-methoxyphenyl ethanol,3-methoxyphenethyl alcohol,benzeneethanol, 3-methoxy,2-3-methoxyphenyl ethan-1-ol,phenethyl alcohol, m-methoxy,3-methoxybenzeneethanol,m-methoxyphenethyl alcohol,1-2-hydroxyethyl-3-methoxybenzene,acmc-20abd2,3-methoxyphenethylalcohol PubChem CID: 78724 IUPAC Name: 2-(3-methoxyphenyl)ethanol SMILES: COC1=CC=CC(=C1)CCO

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PubChem CID	78724
CAS	5020-41-7
Molecular Weight (g/mol)	152.19
MDL Number	MFCD00002893
SMILES	COC1=CC=CC(=C1)CCO
Synonym	2-3-methoxyphenyl ethanol,3-methoxyphenethyl alcohol,benzeneethanol, 3-methoxy,2-3-methoxyphenyl ethan-1-ol,phenethyl alcohol, m-methoxy,3-methoxybenzeneethanol,m-methoxyphenethyl alcohol,1-2-hydroxyethyl-3-methoxybenzene,acmc-20abd2,3-methoxyphenethylalcohol
IUPAC Name	2-(3-methoxyphenyl)ethanol
InChI Key	UPPGEJSCUZMCMW-UHFFFAOYSA-N
Molecular Formula	C₉H₁₂O₂

3,281

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(4-Carboxybutyl)triphenylphosphonium bromide, 98%

CAS: 17814-85-6 Molecular Formula: C23H24BrO2P Molecular Weight (g/mol): 443.32 MDL Number: MFCD00011906 InChI Key: MLOSJPZSZWUDSK-UHFFFAOYSA-N Synonym: 4-carboxybutyl triphenylphosphonium bromide,phosphonium, 4-carboxybutyl triphenyl-, bromide,4-carboxybutyl triphenylphosphanium bromide,carboxybutyltriphenylphosphonium bromide,5-triphenylphosphonio pentanoic acid bromide,4-carboxybutyl-triphenylphosphonium bromide,triphenyl 4-carboxybutyl phosphonium bromide,4-carboxybutyl triphenyl phosphonium bromide PubChem CID: 161236 IUPAC Name: 4-carboxybutyl(triphenyl)phosphanium;bromide SMILES: [Br-].OC(=O)CCCC[P+](C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1

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PubChem CID	161236
CAS	17814-85-6
Molecular Weight (g/mol)	443.32
MDL Number	MFCD00011906
SMILES	[Br-].OC(=O)CCCC[P+](C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1
Synonym	4-carboxybutyl triphenylphosphonium bromide,phosphonium, 4-carboxybutyl triphenyl-, bromide,4-carboxybutyl triphenylphosphanium bromide,carboxybutyltriphenylphosphonium bromide,5-triphenylphosphonio pentanoic acid bromide,4-carboxybutyl-triphenylphosphonium bromide,triphenyl 4-carboxybutyl phosphonium bromide,4-carboxybutyl triphenyl phosphonium bromide
IUPAC Name	4-carboxybutyl(triphenyl)phosphanium;bromide
InChI Key	MLOSJPZSZWUDSK-UHFFFAOYSA-N
Molecular Formula	C23H24BrO2P

3,282

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4-Fluoro-2-(trifluoromethyl)benzyl bromide, 98%, Thermo Scientific™

CAS: 206860-48-2 Molecular Formula: C₈H₅BrF₄ Molecular Weight (g/mol): 257.03 InChI Key: JMNOONULDANZRZ-UHFFFAOYSA-N Synonym: 4-fluoro-2-trifluoromethyl benzyl bromide,1-bromomethyl-4-fluoro-2-trifluoromethyl benzene,4-fluoro-2-trifluoromethyl benzylbromide,benzene, 1-bromomethyl-4-fluoro-2-trifluoromethyl,alpha-bromo-4-fluoro-2-trifluoromethyl toluene,1-bromomethyl-4-fluoro-2-trifluoromethyl-benzene,pubchem4642,acmc-20ai28,4-fluoro-2-trifluoromethylbenzyl bromide,4-fluoro-2-trifluoromethyl-benzyl bromide PubChem CID: 2737576 IUPAC Name: 1-(bromomethyl)-4-fluoro-2-(trifluoromethyl)benzene SMILES: C1=CC(=C(C=C1F)C(F)(F)F)CBr

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Specifications

PubChem CID	2737576
CAS	206860-48-2
Molecular Weight (g/mol)	257.03
SMILES	C1=CC(=C(C=C1F)C(F)(F)F)CBr
Synonym	4-fluoro-2-trifluoromethyl benzyl bromide,1-bromomethyl-4-fluoro-2-trifluoromethyl benzene,4-fluoro-2-trifluoromethyl benzylbromide,benzene, 1-bromomethyl-4-fluoro-2-trifluoromethyl,alpha-bromo-4-fluoro-2-trifluoromethyl toluene,1-bromomethyl-4-fluoro-2-trifluoromethyl-benzene,pubchem4642,acmc-20ai28,4-fluoro-2-trifluoromethylbenzyl bromide,4-fluoro-2-trifluoromethyl-benzyl bromide
IUPAC Name	1-(bromomethyl)-4-fluoro-2-(trifluoromethyl)benzene
InChI Key	JMNOONULDANZRZ-UHFFFAOYSA-N
Molecular Formula	C₈H₅BrF₄

3,283

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4-Acetamidobenzaldehyde, 98%

CAS: 122-85-0 Molecular Formula: C9H9NO2 Molecular Weight (g/mol): 163.176 MDL Number: MFCD00003380 InChI Key: SKLUWKYNZNXSLX-UHFFFAOYSA-N Synonym: 4-acetamidobenzaldehyde,n-4-formylphenyl acetamide,4-acetylaminobenzaldehyde,p-formylacetanilide,acetamide, n-4-formylphenyl,micotiazone,4-formylacetanilide,4'-formylacetanilide,p-acetamidobenzaldehyde,p-acetaminobenzaldehyde PubChem CID: 73942 IUPAC Name: N-(4-formylphenyl)acetamide SMILES: CC(=O)NC1=CC=C(C=C1)C=O

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PubChem CID	73942
CAS	122-85-0
Molecular Weight (g/mol)	163.176
MDL Number	MFCD00003380
SMILES	CC(=O)NC1=CC=C(C=C1)C=O
Synonym	4-acetamidobenzaldehyde,n-4-formylphenyl acetamide,4-acetylaminobenzaldehyde,p-formylacetanilide,acetamide, n-4-formylphenyl,micotiazone,4-formylacetanilide,4'-formylacetanilide,p-acetamidobenzaldehyde,p-acetaminobenzaldehyde
IUPAC Name	N-(4-formylphenyl)acetamide
InChI Key	SKLUWKYNZNXSLX-UHFFFAOYSA-N
Molecular Formula	C9H9NO2

3,284

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3-Iodobenzylamine, 97%

CAS: 696-40-2 Molecular Formula: C7H8IN Molecular Weight (g/mol): 233.052 MDL Number: MFCD00192227 InChI Key: LQLOGZQVKUNBRX-UHFFFAOYSA-N Synonym: 3-iodobenzylamine,3-iodophenyl methanamine,meta-iodobenzylamine,benzenemethanamine, 3-iodo,3-iodo-benzylamine,1-3-iodophenyl methanamine,3-iodobenzyl amine,m-iodobenzylamine,3-iodobenzenemethanamine,3-iodo-benzenemethanamine PubChem CID: 97012 IUPAC Name: (3-iodophenyl)methanamine SMILES: C1=CC(=CC(=C1)I)CN

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Specifications

PubChem CID	97012
CAS	696-40-2
Molecular Weight (g/mol)	233.052
MDL Number	MFCD00192227
SMILES	C1=CC(=CC(=C1)I)CN
Synonym	3-iodobenzylamine,3-iodophenyl methanamine,meta-iodobenzylamine,benzenemethanamine, 3-iodo,3-iodo-benzylamine,1-3-iodophenyl methanamine,3-iodobenzyl amine,m-iodobenzylamine,3-iodobenzenemethanamine,3-iodo-benzenemethanamine
IUPAC Name	(3-iodophenyl)methanamine
InChI Key	LQLOGZQVKUNBRX-UHFFFAOYSA-N
Molecular Formula	C7H8IN

3,285

[2-(2-Morpholinoethoxy)phenyl]methanol, 97%, Thermo Scientific™

CAS: 106276-04-4 Molecular Formula: C13H19NO3 Molecular Weight (g/mol): 237.299 MDL Number: MFCD07772843 InChI Key: MJDMCSJTOOAYPS-UHFFFAOYSA-N Synonym: 2-2-morpholinoethoxy phenyl methanol,2-2-morpholin-4-yl ethoxy phenyl methanol,2-2-morpholin-4-ylethoxy phenyl methanol,2-2-morpholin-4-yl-ethoxy-phenyl-methanol,2-2-morpholin-4-ylethoxy phenyl methan-1-ol PubChem CID: 7164615 IUPAC Name: [2-(2-morpholin-4-ylethoxy)phenyl]methanol SMILES: C1COCCN1CCOC2=CC=CC=C2CO

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Specifications

PubChem CID	7164615
CAS	106276-04-4
Molecular Weight (g/mol)	237.299
MDL Number	MFCD07772843
SMILES	C1COCCN1CCOC2=CC=CC=C2CO
Synonym	2-2-morpholinoethoxy phenyl methanol,2-2-morpholin-4-yl ethoxy phenyl methanol,2-2-morpholin-4-ylethoxy phenyl methanol,2-2-morpholin-4-yl-ethoxy-phenyl-methanol,2-2-morpholin-4-ylethoxy phenyl methan-1-ol
IUPAC Name	[2-(2-morpholin-4-ylethoxy)phenyl]methanol
InChI Key	MJDMCSJTOOAYPS-UHFFFAOYSA-N
Molecular Formula	C13H19NO3

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Benzene and substituted derivatives

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Octocrylene, 95%, Spectrum™ Chemical Small and Specialty Supplier PartnerSmall and/or specialty supplier based on Federal laws and SBA requirements.Learn More

Octocrylene, 95%, Spectrum™ Chemical