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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2,071 – 2,085 of 119,722 results

2,071

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Allyl phenyl ether, 99%

CAS: 1746-13-0 Molecular Formula: C9H10O Molecular Weight (g/mol): 134.178 MDL Number: MFCD00008644 InChI Key: POSICDHOUBKJKP-UHFFFAOYSA-N Synonym: allyl phenyl ether,allyloxy benzene,allyloxybenzene,benzene, 2-propenyloxy,allyl phenoxylate,phenyl allyl ether,ether, allyl phenyl,3-phenoxypropene,phenylpropenyl ether,phenyl 2-propenyl ether PubChem CID: 74458 IUPAC Name: prop-2-enoxybenzene SMILES: C=CCOC1=CC=CC=C1

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Specifications

PubChem CID	74458
CAS	1746-13-0
Molecular Weight (g/mol)	134.178
MDL Number	MFCD00008644
SMILES	C=CCOC1=CC=CC=C1
Synonym	allyl phenyl ether,allyloxy benzene,allyloxybenzene,benzene, 2-propenyloxy,allyl phenoxylate,phenyl allyl ether,ether, allyl phenyl,3-phenoxypropene,phenylpropenyl ether,phenyl 2-propenyl ether
IUPAC Name	prop-2-enoxybenzene
InChI Key	POSICDHOUBKJKP-UHFFFAOYSA-N
Molecular Formula	C9H10O

2,072

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4-(2-Chloroethyl)benzoic acid, 97%

CAS: 20849-78-9 Molecular Formula: C9H9ClO2 Molecular Weight (g/mol): 184.62 MDL Number: MFCD00013995 InChI Key: OOAPBGPLZAFZSO-UHFFFAOYSA-N PubChem CID: 88712 IUPAC Name: 4-(2-chloroethyl)benzoic acid SMILES: OC(=O)C1=CC=C(CCCl)C=C1

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Specifications

PubChem CID	88712
CAS	20849-78-9
Molecular Weight (g/mol)	184.62
MDL Number	MFCD00013995
SMILES	OC(=O)C1=CC=C(CCCl)C=C1
IUPAC Name	4-(2-chloroethyl)benzoic acid
InChI Key	OOAPBGPLZAFZSO-UHFFFAOYSA-N
Molecular Formula	C9H9ClO2

2,073

1-(2-Bromophenyl)-1H-pyrazole, ≥97%, Thermo Scientific™

CAS: 87488-84-4 Molecular Formula: C9H7BrN2 Molecular Weight (g/mol): 223.07 MDL Number: MFCD06659065 InChI Key: QNDJHGODPWAKAO-UHFFFAOYSA-N Synonym: 1-2-bromophenyl-1h-pyrazole,1-2-bromophenyl pyrazole,1-2-bromo-phenyl-1h-pyrazole,2-bromophenyl pyrazole,acmc-209qo1,1h-pyrazole,1-2-bromophenyl,1h-pyrazole, 1-2-bromophenyl PubChem CID: 2795433 IUPAC Name: 1-(2-bromophenyl)-1H-pyrazole SMILES: BrC1=CC=CC=C1N1C=CC=N1

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Specifications

PubChem CID	2795433
CAS	87488-84-4
Molecular Weight (g/mol)	223.07
MDL Number	MFCD06659065
SMILES	BrC1=CC=CC=C1N1C=CC=N1
Synonym	1-2-bromophenyl-1h-pyrazole,1-2-bromophenyl pyrazole,1-2-bromo-phenyl-1h-pyrazole,2-bromophenyl pyrazole,acmc-209qo1,1h-pyrazole,1-2-bromophenyl,1h-pyrazole, 1-2-bromophenyl
IUPAC Name	1-(2-bromophenyl)-1H-pyrazole
InChI Key	QNDJHGODPWAKAO-UHFFFAOYSA-N
Molecular Formula	C9H7BrN2

2,074

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Benzyl (triphenylphosphoranylidene)acetate, 97%

CAS: 15097-38-8 Molecular Formula: C27H23O2P Molecular Weight (g/mol): 410.45 MDL Number: MFCD00191787 InChI Key: INKMLGJBBDRIQR-UHFFFAOYSA-N Synonym: benzyl 2-triphenylphosphoranylidene acetate,benzyl triphenylphosphoranylidene acetate,benzyl triphenylphosphoranylidene-acetate,benzyl 2-triphenyl-??-phosphanylidene acetate,acetic acid, triphenylphosphoranylidene-, phenylmethyl ester,phenylmethyl 2-triphenylylidene acetate,benzyl 2-triphenyl,acmc-20ah9g,ksc526q3l PubChem CID: 3862746 IUPAC Name: benzyl 2-(triphenyl-$l^{5}-phosphanylidene)acetate SMILES: O=C(OCC1=CC=CC=C1)C=P(C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1

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Specifications

PubChem CID	3862746
CAS	15097-38-8
Molecular Weight (g/mol)	410.45
MDL Number	MFCD00191787
SMILES	O=C(OCC1=CC=CC=C1)C=P(C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1
Synonym	benzyl 2-triphenylphosphoranylidene acetate,benzyl triphenylphosphoranylidene acetate,benzyl triphenylphosphoranylidene-acetate,benzyl 2-triphenyl-??-phosphanylidene acetate,acetic acid, triphenylphosphoranylidene-, phenylmethyl ester,phenylmethyl 2-triphenylylidene acetate,benzyl 2-triphenyl,acmc-20ah9g,ksc526q3l
IUPAC Name	benzyl 2-(triphenyl-$l^{5}-phosphanylidene)acetate
InChI Key	INKMLGJBBDRIQR-UHFFFAOYSA-N
Molecular Formula	C27H23O2P

2,075

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2,4-Dichloro-5-isopropoxyaniline, 98%

CAS: 41200-96-8 Molecular Formula: C9H11Cl2NO Molecular Weight (g/mol): 220.093 MDL Number: MFCD00974411 InChI Key: RWRWIICNMOKBIQ-UHFFFAOYSA-N Synonym: 2,4-dichloro-5-isopropoxyaniline,2,4-dichloro-5-2-propyloxy aniline,2,4-dichloro-5-propan-2-yloxy aniline,benzenamine, 2,4-dichloro-5-1-methylethoxy,acmc-20aodr,2,4-dichloro-5-isopropyloxyaniline,2,4-dichloro-5-isopropoxyphenylamine,2,4-dichloro-5-isopropoxy-phenylamine,2,4-dichloro-5-1-methylethoxy aniline,2,4-dichloro-5-methylethoxy phenylamine PubChem CID: 170476 IUPAC Name: 2,4-dichloro-5-propan-2-yloxyaniline SMILES: CC(C)OC1=C(C=C(C(=C1)N)Cl)Cl

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Specifications

PubChem CID	170476
CAS	41200-96-8
Molecular Weight (g/mol)	220.093
MDL Number	MFCD00974411
SMILES	CC(C)OC1=C(C=C(C(=C1)N)Cl)Cl
Synonym	2,4-dichloro-5-isopropoxyaniline,2,4-dichloro-5-2-propyloxy aniline,2,4-dichloro-5-propan-2-yloxy aniline,benzenamine, 2,4-dichloro-5-1-methylethoxy,acmc-20aodr,2,4-dichloro-5-isopropyloxyaniline,2,4-dichloro-5-isopropoxyphenylamine,2,4-dichloro-5-isopropoxy-phenylamine,2,4-dichloro-5-1-methylethoxy aniline,2,4-dichloro-5-methylethoxy phenylamine
IUPAC Name	2,4-dichloro-5-propan-2-yloxyaniline
InChI Key	RWRWIICNMOKBIQ-UHFFFAOYSA-N
Molecular Formula	C9H11Cl2NO

2,076

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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

2,077

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3-(Bromomethyl)phenoxyacetic acid, 97%

CAS: 136645-25-5 Molecular Formula: C9H9BrO3 Molecular Weight (g/mol): 245.072 MDL Number: MFCD02093985 InChI Key: MSTODKGDFXWAIO-UHFFFAOYSA-N Synonym: 3-bromomethyl phenoxyacetic acid,2-3-bromomethyl phenoxy acetic acid,acmc-1c8fy PubChem CID: 7010327 IUPAC Name: 2-[3-(bromomethyl)phenoxy]acetic acid SMILES: C1=CC(=CC(=C1)OCC(=O)O)CBr

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Specifications

PubChem CID	7010327
CAS	136645-25-5
Molecular Weight (g/mol)	245.072
MDL Number	MFCD02093985
SMILES	C1=CC(=CC(=C1)OCC(=O)O)CBr
Synonym	3-bromomethyl phenoxyacetic acid,2-3-bromomethyl phenoxy acetic acid,acmc-1c8fy
IUPAC Name	2-[3-(bromomethyl)phenoxy]acetic acid
InChI Key	MSTODKGDFXWAIO-UHFFFAOYSA-N
Molecular Formula	C9H9BrO3

2,078

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5-Chloro-2-hydroxybenzamide, 97%

CAS: 7120-43-6 Molecular Formula: C7H6ClNO2 Molecular Weight (g/mol): 171.58 MDL Number: MFCD00007980 InChI Key: NNHMQZBVJPQCAK-UHFFFAOYSA-N Synonym: 5-chlorosalicylamide,chlorosalicylamide,benzamide, 5-chloro-2-hydroxy,5-chlorosalicyl-amide,acmc-209ohl,5chloro-2-hydroxy-benzamide,ksc498a5j,5-chloro-2-hydroxy-benzamide,#,5-chloranyl-2-oxidanyl-benzamide PubChem CID: 348094 IUPAC Name: 5-chloro-2-hydroxybenzamide SMILES: NC(=O)C1=CC(Cl)=CC=C1O

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Specifications

PubChem CID	348094
CAS	7120-43-6
Molecular Weight (g/mol)	171.58
MDL Number	MFCD00007980
SMILES	NC(=O)C1=CC(Cl)=CC=C1O
Synonym	5-chlorosalicylamide,chlorosalicylamide,benzamide, 5-chloro-2-hydroxy,5-chlorosalicyl-amide,acmc-209ohl,5chloro-2-hydroxy-benzamide,ksc498a5j,5-chloro-2-hydroxy-benzamide,#,5-chloranyl-2-oxidanyl-benzamide
IUPAC Name	5-chloro-2-hydroxybenzamide
InChI Key	NNHMQZBVJPQCAK-UHFFFAOYSA-N
Molecular Formula	C7H6ClNO2

2,079

2-[3-(Chloromethyl)phenyl]-1,3-thiazole, 97%, Thermo Scientific™

CAS: 906352-60-1 Molecular Formula: C10H8ClNS Molecular Weight (g/mol): 209.69 MDL Number: MFCD09025829 InChI Key: SWICJACRAPFUKX-UHFFFAOYSA-N Synonym: 2-3-chloromethyl phenyl-1,3-thiazole,2-3-chloromethyl phenyl thiazole PubChem CID: 18525728 IUPAC Name: 2-[3-(chloromethyl)phenyl]-1,3-thiazole SMILES: ClCC1=CC=CC(=C1)C1=NC=CS1

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Specifications

PubChem CID	18525728
CAS	906352-60-1
Molecular Weight (g/mol)	209.69
MDL Number	MFCD09025829
SMILES	ClCC1=CC=CC(=C1)C1=NC=CS1
Synonym	2-3-chloromethyl phenyl-1,3-thiazole,2-3-chloromethyl phenyl thiazole
IUPAC Name	2-[3-(chloromethyl)phenyl]-1,3-thiazole
InChI Key	SWICJACRAPFUKX-UHFFFAOYSA-N
Molecular Formula	C10H8ClNS

2,080

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4,4″-Diamino-p-terphenyl, 95%

CAS: 3365-85-3 Molecular Formula: C18H16N2 Molecular Weight (g/mol): 260.34 MDL Number: MFCD00051532 InChI Key: QBSMHWVGUPQNJJ-UHFFFAOYSA-N Synonym: 4,4-diamino-p-terphenyl,4,4-diaminoterphenyl,4-4-4-aminophenyl phenyl aniline,ccris 4965,p-terphenyl, 4,4-diamine,1,1':4',1-terphenyl-4,4-diamine,4'-4-aminophenyl-1,1'-biphenyl-4-amine,4,4-diamino-4-terphenyl PubChem CID: 104949 IUPAC Name: 4-[4-(4-aminophenyl)phenyl]aniline SMILES: C1=CC(=CC=C1C2=CC=C(C=C2)N)C3=CC=C(C=C3)N

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Specifications

PubChem CID	104949
CAS	3365-85-3
Molecular Weight (g/mol)	260.34
MDL Number	MFCD00051532
SMILES	C1=CC(=CC=C1C2=CC=C(C=C2)N)C3=CC=C(C=C3)N
Synonym	4,4-diamino-p-terphenyl,4,4-diaminoterphenyl,4-4-4-aminophenyl phenyl aniline,ccris 4965,p-terphenyl, 4,4-diamine,1,1':4',1-terphenyl-4,4-diamine,4'-4-aminophenyl-1,1'-biphenyl-4-amine,4,4-diamino-4-terphenyl
IUPAC Name	4-[4-(4-aminophenyl)phenyl]aniline
InChI Key	QBSMHWVGUPQNJJ-UHFFFAOYSA-N
Molecular Formula	C18H16N2

2,081

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4-Chloro-2-(trifluoromethyl)phenyl isocyanate, 97%

CAS: 16588-69-5 Molecular Formula: C8H3ClF3NO Molecular Weight (g/mol): 221.56 MDL Number: MFCD00013873 InChI Key: SBDPJLJFODHSFF-UHFFFAOYSA-N Synonym: 4-chloro-2-trifluoromethyl phenyl isocyanate,4-chloro-1-isocyanato-2-trifluoromethyl benzene,4-chloro-2-trifluoromethyl phenylisocyanate,5-chloro-2-isocyanatobenzotrifluoride,timtec-bb sbb006655,4-chloro-2-trifluoromethyl benzenisocyanate,pubchem4450,acmc-1c7bp,4-chloro-2-trifluoromethylphenyl isocyanate,4-chloro-2-trifluoromethyl-isocyanatobenzene PubChem CID: 2733264 IUPAC Name: 4-chloro-1-isocyanato-2-(trifluoromethyl)benzene SMILES: FC(F)(F)C1=C(C=CC(Cl)=C1)N=C=O

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Specifications

PubChem CID	2733264
CAS	16588-69-5
Molecular Weight (g/mol)	221.56
MDL Number	MFCD00013873
SMILES	FC(F)(F)C1=C(C=CC(Cl)=C1)N=C=O
Synonym	4-chloro-2-trifluoromethyl phenyl isocyanate,4-chloro-1-isocyanato-2-trifluoromethyl benzene,4-chloro-2-trifluoromethyl phenylisocyanate,5-chloro-2-isocyanatobenzotrifluoride,timtec-bb sbb006655,4-chloro-2-trifluoromethyl benzenisocyanate,pubchem4450,acmc-1c7bp,4-chloro-2-trifluoromethylphenyl isocyanate,4-chloro-2-trifluoromethyl-isocyanatobenzene
IUPAC Name	4-chloro-1-isocyanato-2-(trifluoromethyl)benzene
InChI Key	SBDPJLJFODHSFF-UHFFFAOYSA-N
Molecular Formula	C8H3ClF3NO

2,082

Bis(triphenylphosphine)palladium(II) chloride, 98%

CAS: 13965-03-2 Molecular Formula: C36H30Cl2P2Pd Molecular Weight (g/mol): 701.90 MDL Number: MFCD00009593 InChI Key: YNHIGQDRGKUECZ-UHFFFAOYSA-L Synonym: bis triphenylphosphine palladium ii dichloride,bis triphenylphosphine palladium ii chloride,dichlorobis triphenylphosphine palladium,bis triphenylphosphine palladium chloride,bis triphenylphosphine palladiuml ii dichloride,palladium 2+ ; triphenylphosphane; dichloride,trans-dichlorobis triphenylphosphine palladium ii 1g PubChem CID: 131664180 IUPAC Name: ethane;methane;palladium(2+);triphenylphosphane;dichloride SMILES: [Cl-].[Cl-].[Pd++].C1=CC=C(C=C1)P(C1=CC=CC=C1)C1=CC=CC=C1.C1=CC=C(C=C1)P(C1=CC=CC=C1)C1=CC=CC=C1

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Specifications

PubChem CID	131664180
CAS	13965-03-2
Molecular Weight (g/mol)	701.90
MDL Number	MFCD00009593
SMILES	[Cl-].[Cl-].[Pd++].C1=CC=C(C=C1)P(C1=CC=CC=C1)C1=CC=CC=C1.C1=CC=C(C=C1)P(C1=CC=CC=C1)C1=CC=CC=C1
Synonym	bis triphenylphosphine palladium ii dichloride,bis triphenylphosphine palladium ii chloride,dichlorobis triphenylphosphine palladium,bis triphenylphosphine palladium chloride,bis triphenylphosphine palladiuml ii dichloride,palladium 2+ ; triphenylphosphane; dichloride,trans-dichlorobis triphenylphosphine palladium ii 1g
IUPAC Name	ethane;methane;palladium(2+);triphenylphosphane;dichloride
InChI Key	YNHIGQDRGKUECZ-UHFFFAOYSA-L
Molecular Formula	C36H30Cl2P2Pd

2,083

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2-Hydroxybenzylamine, 98%

CAS: 932-30-9 Molecular Formula: C₇H₉NO Molecular Weight (g/mol): 123.15 MDL Number: MFCD00870498 InChI Key: KPRZOPQOBJRYSW-UHFFFAOYSA-N Synonym: 2-aminomethyl phenol,2-hydroxybenzylamine,phenol, 2-aminomethyl,o-hydroxybenzylamine,2-hydroxyphenyl methylamine,unii-696r5n4nrm,salicylamine,aminomethyl phenol,o-aminomethylphenol,o-hydroxy-benzylamine PubChem CID: 70267 IUPAC Name: 2-(aminomethyl)phenol SMILES: C1=CC=C(C(=C1)CN)O

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Specifications

PubChem CID	70267
CAS	932-30-9
Molecular Weight (g/mol)	123.15
MDL Number	MFCD00870498
SMILES	C1=CC=C(C(=C1)CN)O
Synonym	2-aminomethyl phenol,2-hydroxybenzylamine,phenol, 2-aminomethyl,o-hydroxybenzylamine,2-hydroxyphenyl methylamine,unii-696r5n4nrm,salicylamine,aminomethyl phenol,o-aminomethylphenol,o-hydroxy-benzylamine
IUPAC Name	2-(aminomethyl)phenol
InChI Key	KPRZOPQOBJRYSW-UHFFFAOYSA-N
Molecular Formula	C₇H₉NO

2,084

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2-Bromo-4-chloroaniline, 98%

CAS: 873-38-1 Molecular Formula: C6H5BrClN Molecular Weight (g/mol): 206.467 MDL Number: MFCD00041313 InChI Key: SYTBIFURTZACKR-UHFFFAOYSA-N Synonym: benzenamine, 2-bromo-4-chloro,1-amino-2-bromo-4-chlorobenzene,2-bromo-4-chloro-phenylamine,2-bromo-4-chloro aniline,2-bromo-4-chlorophenylamine,pubchem3576,acmc-1bkdm,2-bromo-4-chloro-aniline,4-chloro-2-bromoaniline,2-bromo-4-chloroaniline PubChem CID: 70110 IUPAC Name: 2-bromo-4-chloroaniline SMILES: C1=CC(=C(C=C1Cl)Br)N

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Specifications

PubChem CID	70110
CAS	873-38-1
Molecular Weight (g/mol)	206.467
MDL Number	MFCD00041313
SMILES	C1=CC(=C(C=C1Cl)Br)N
Synonym	benzenamine, 2-bromo-4-chloro,1-amino-2-bromo-4-chlorobenzene,2-bromo-4-chloro-phenylamine,2-bromo-4-chloro aniline,2-bromo-4-chlorophenylamine,pubchem3576,acmc-1bkdm,2-bromo-4-chloro-aniline,4-chloro-2-bromoaniline,2-bromo-4-chloroaniline
IUPAC Name	2-bromo-4-chloroaniline
InChI Key	SYTBIFURTZACKR-UHFFFAOYSA-N
Molecular Formula	C6H5BrClN

2,085

[3-(2-Morpholinoethoxy)phenyl]methanol, 97%, Thermo Scientific™

CAS: 857284-07-2 Molecular Formula: C13H19NO3 Molecular Weight (g/mol): 237.299 MDL Number: MFCD07772846 InChI Key: DZHYOLUKMGNRTO-UHFFFAOYSA-N Synonym: 3-2-morpholinoethoxy phenyl methanol,3-2-morpholin-4-yl ethoxy phenyl methanol,3-2-morpholin-4-ylethoxy phenyl methanol,3-2-morpholin-4-ylethoxy phenyl methan-1-ol PubChem CID: 7164622 IUPAC Name: [3-(2-morpholin-4-ylethoxy)phenyl]methanol SMILES: C1COCCN1CCOC2=CC=CC(=C2)CO

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Specifications

PubChem CID	7164622
CAS	857284-07-2
Molecular Weight (g/mol)	237.299
MDL Number	MFCD07772846
SMILES	C1COCCN1CCOC2=CC=CC(=C2)CO
Synonym	3-2-morpholinoethoxy phenyl methanol,3-2-morpholin-4-yl ethoxy phenyl methanol,3-2-morpholin-4-ylethoxy phenyl methanol,3-2-morpholin-4-ylethoxy phenyl methan-1-ol
IUPAC Name	[3-(2-morpholin-4-ylethoxy)phenyl]methanol
InChI Key	DZHYOLUKMGNRTO-UHFFFAOYSA-N
Molecular Formula	C13H19NO3

Benzene and substituted derivatives

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