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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3,391 – 3,405 of 64,662 results

3,391

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1-Benzhydrylpiperazine, 97%

CAS: 841-77-0 Molecular Formula: C17H20N2 Molecular Weight (g/mol): 252.361 MDL Number: MFCD00038379 InChI Key: NWVNXDKZIQLBNM-UHFFFAOYSA-N Synonym: 1-diphenylmethyl piperazine,benzhydrylpiperazine,n-benzhydrylpiperazine,1-benzhydryl-piperazine,diphenylmethylpiperazine,norcyclizine,normethylcyclizine,piperazine, 1-diphenylmethyl,4-benzhydrylpiperazine,n-diphenylmethyl piperazine PubChem CID: 70048 IUPAC Name: 1-benzhydrylpiperazine SMILES: C1CN(CCN1)C(C2=CC=CC=C2)C3=CC=CC=C3

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Specifications

PubChem CID	70048
CAS	841-77-0
Molecular Weight (g/mol)	252.361
MDL Number	MFCD00038379
SMILES	C1CN(CCN1)C(C2=CC=CC=C2)C3=CC=CC=C3
Synonym	1-diphenylmethyl piperazine,benzhydrylpiperazine,n-benzhydrylpiperazine,1-benzhydryl-piperazine,diphenylmethylpiperazine,norcyclizine,normethylcyclizine,piperazine, 1-diphenylmethyl,4-benzhydrylpiperazine,n-diphenylmethyl piperazine
IUPAC Name	1-benzhydrylpiperazine
InChI Key	NWVNXDKZIQLBNM-UHFFFAOYSA-N
Molecular Formula	C17H20N2

3,392

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3,4-Difluorophenylmagnesium bromide, 0.50 M in 2-MeTHF

CAS: 90897-92-0 Molecular Formula: C6H3BrF2Mg Molecular Weight (g/mol): 217.30 MDL Number: MFCD00672004 InChI Key: WZHAVYGMKGPNFN-UHFFFAOYSA-M Synonym: 3,4-difluorophenylmagnesium bromide,bromo 3,4-difluorophenyl magnesium,3,4-difluorophenyl magnesium bromide,c6h3brf2m,wzhavygmkgpnfn-uhfffaoysa-m,magnesium,bromo 3,4-difluorophenyl,3,4-difluorophenylmagnesium bromide, 0.50 m in 2-methf,3,4-difluorophenylmagnesium bromide 0.5 m in tetrahydrofuran,3,4-difluorophenylmagnesium bromide solution, 0.5 m in thf,grignard reagent PubChem CID: 2778383 IUPAC Name: magnesium;1,2-difluorobenzene-5-ide;bromide SMILES: FC1=CC=C([Mg]Br)C=C1F

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Specifications

PubChem CID	2778383
CAS	90897-92-0
Molecular Weight (g/mol)	217.30
MDL Number	MFCD00672004
SMILES	FC1=CC=C([Mg]Br)C=C1F
Synonym	3,4-difluorophenylmagnesium bromide,bromo 3,4-difluorophenyl magnesium,3,4-difluorophenyl magnesium bromide,c6h3brf2m,wzhavygmkgpnfn-uhfffaoysa-m,magnesium,bromo 3,4-difluorophenyl,3,4-difluorophenylmagnesium bromide, 0.50 m in 2-methf,3,4-difluorophenylmagnesium bromide 0.5 m in tetrahydrofuran,3,4-difluorophenylmagnesium bromide solution, 0.5 m in thf,grignard reagent
IUPAC Name	magnesium;1,2-difluorobenzene-5-ide;bromide
InChI Key	WZHAVYGMKGPNFN-UHFFFAOYSA-M
Molecular Formula	C6H3BrF2Mg

3,393

4-Propoxybenzonitrile, 97%, Thermo Scientific™

CAS: 60758-84-1 Molecular Formula: C10H11NO Molecular Weight (g/mol): 161.204 MDL Number: MFCD00173874 InChI Key: VYOPNUZYNSNYRA-UHFFFAOYSA-N Synonym: 4-propoxy-benzonitrile,4-propoxybenzenecarbonitrile,4-n-propoxybenzonitrile,benzonitrile, 4-propoxy PubChem CID: 322939 IUPAC Name: 4-propoxybenzonitrile SMILES: CCCOC1=CC=C(C=C1)C#N

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Specifications

PubChem CID	322939
CAS	60758-84-1
Molecular Weight (g/mol)	161.204
MDL Number	MFCD00173874
SMILES	CCCOC1=CC=C(C=C1)C#N
Synonym	4-propoxy-benzonitrile,4-propoxybenzenecarbonitrile,4-n-propoxybenzonitrile,benzonitrile, 4-propoxy
IUPAC Name	4-propoxybenzonitrile
InChI Key	VYOPNUZYNSNYRA-UHFFFAOYSA-N
Molecular Formula	C10H11NO

3,394

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2-Benzyloxybenzoic acid, 98%

CAS: 14389-86-7 Molecular Formula: C14H11O3 Molecular Weight (g/mol): 227.24 MDL Number: MFCD00051940 InChI Key: GMOYUTKNPLBTMT-UHFFFAOYSA-M PubChem CID: 1810581 SMILES: [O-]C(=O)C1=CC=CC=C1OCC1=CC=CC=C1

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Specifications

PubChem CID	1810581
CAS	14389-86-7
Molecular Weight (g/mol)	227.24
MDL Number	MFCD00051940
SMILES	[O-]C(=O)C1=CC=CC=C1OCC1=CC=CC=C1
InChI Key	GMOYUTKNPLBTMT-UHFFFAOYSA-M
Molecular Formula	C14H11O3

3,395

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2-Methylphenoxyacetic acid, 98%

CAS: 1878-49-5 Molecular Formula: C9H10O3 Molecular Weight (g/mol): 166.176 MDL Number: MFCD00014354 InChI Key: QJVXBRUGKLCUMY-UHFFFAOYSA-N Synonym: 2-methylphenoxy acetic acid,2-2-methylphenoxy acetic acid,2-methylphenoxyacetic acid,acetic acid, 2-methylphenoxy,o-tolyloxyacetic acid,o-tolyloxy acetic acid,2-o-tolyloxy acetic acid,acetic acid, o-tolyloxy,acide o-methylphenoxyacetique,unii-pxo85n85g3 PubChem CID: 74651 IUPAC Name: 2-(2-methylphenoxy)acetic acid SMILES: CC1=CC=CC=C1OCC(=O)O

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Specifications

PubChem CID	74651
CAS	1878-49-5
Molecular Weight (g/mol)	166.176
MDL Number	MFCD00014354
SMILES	CC1=CC=CC=C1OCC(=O)O
Synonym	2-methylphenoxy acetic acid,2-2-methylphenoxy acetic acid,2-methylphenoxyacetic acid,acetic acid, 2-methylphenoxy,o-tolyloxyacetic acid,o-tolyloxy acetic acid,2-o-tolyloxy acetic acid,acetic acid, o-tolyloxy,acide o-methylphenoxyacetique,unii-pxo85n85g3
IUPAC Name	2-(2-methylphenoxy)acetic acid
InChI Key	QJVXBRUGKLCUMY-UHFFFAOYSA-N
Molecular Formula	C9H10O3

3,396

2-[1-methyl-3-(trifluoromethyl)-1h-pyrazol-5-yl]benzoic acid, 97%, Thermo Scientific™

CAS: 910037-16-0 Molecular Formula: C12H9F3N2O2 Molecular Weight (g/mol): 270.211 MDL Number: MFCD09879926 InChI Key: ADEAPHCAMGDLFU-UHFFFAOYSA-N Synonym: 2-1-methyl-3-trifluoromethyl-1h-pyrazol-5-yl benzoic acid,2-2-methyl-5-trifluoromethyl pyrazol-3-yl benzoic acid PubChem CID: 24229655 IUPAC Name: 2-[2-methyl-5-(trifluoromethyl)pyrazol-3-yl]benzoic acid SMILES: CN1C(=CC(=N1)C(F)(F)F)C2=CC=CC=C2C(=O)O

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Specifications

PubChem CID	24229655
CAS	910037-16-0
Molecular Weight (g/mol)	270.211
MDL Number	MFCD09879926
SMILES	CN1C(=CC(=N1)C(F)(F)F)C2=CC=CC=C2C(=O)O
Synonym	2-1-methyl-3-trifluoromethyl-1h-pyrazol-5-yl benzoic acid,2-2-methyl-5-trifluoromethyl pyrazol-3-yl benzoic acid
IUPAC Name	2-[2-methyl-5-(trifluoromethyl)pyrazol-3-yl]benzoic acid
InChI Key	ADEAPHCAMGDLFU-UHFFFAOYSA-N
Molecular Formula	C12H9F3N2O2

3,397

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4-Fluoro-o-phenylenediamine, 97%

CAS: 367-31-7 Molecular Formula: C6H7FN2 Molecular Weight (g/mol): 126.134 MDL Number: MFCD00042228 InChI Key: KWEWNOOZQVJONF-UHFFFAOYSA-N Synonym: 1,2-diamino-4-fluorobenzene,4-fluoro-1,2-phenylenediamine,3,4-diaminofluorobenzene,4-fluoro-o-phenylenediamine,2-amino-4-fluoroaniline,4-fluoro-1,2-diaminobenzene,3,4-diamino-1-fluorobenzene,5-fluoro-1,2-diaminobenzene,4-fluoro-1,2-benzenediamine,1,2-benzenediamine, 4-fluoro PubChem CID: 164584 IUPAC Name: 4-fluorobenzene-1,2-diamine SMILES: C1=CC(=C(C=C1F)N)N

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Specifications

PubChem CID	164584
CAS	367-31-7
Molecular Weight (g/mol)	126.134
MDL Number	MFCD00042228
SMILES	C1=CC(=C(C=C1F)N)N
Synonym	1,2-diamino-4-fluorobenzene,4-fluoro-1,2-phenylenediamine,3,4-diaminofluorobenzene,4-fluoro-o-phenylenediamine,2-amino-4-fluoroaniline,4-fluoro-1,2-diaminobenzene,3,4-diamino-1-fluorobenzene,5-fluoro-1,2-diaminobenzene,4-fluoro-1,2-benzenediamine,1,2-benzenediamine, 4-fluoro
IUPAC Name	4-fluorobenzene-1,2-diamine
InChI Key	KWEWNOOZQVJONF-UHFFFAOYSA-N
Molecular Formula	C6H7FN2

3,398

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2,4,6-Triisopropylbenzeneboronic acid, 98%

CAS: 154549-38-9 Molecular Formula: C15H25BO2 Molecular Weight (g/mol): 248.173 MDL Number: MFCD02683099 InChI Key: FGFYEKLWZBTLEW-UHFFFAOYSA-N Synonym: 2,4,6-triisopropylphenyl boronic acid,2,4,6-triisopropylphenylboronic acid,2,4,6-triisopropylbenzeneboronic acid,2,4,6-tri propan-2-yl phenyl boronic acid,2,4,6-tris propan-2-yl phenyl boronic acid,acmc-209dav,2,4,6-triisopropylphenyiboronic acid,2,4,6-triisopropylphenyl boronicacid PubChem CID: 15153544 IUPAC Name: [2,4,6-tri(propan-2-yl)phenyl]boronic acid SMILES: B(C1=C(C=C(C=C1C(C)C)C(C)C)C(C)C)(O)O

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Specifications

PubChem CID	15153544
CAS	154549-38-9
Molecular Weight (g/mol)	248.173
MDL Number	MFCD02683099
SMILES	B(C1=C(C=C(C=C1C(C)C)C(C)C)C(C)C)(O)O
Synonym	2,4,6-triisopropylphenyl boronic acid,2,4,6-triisopropylphenylboronic acid,2,4,6-triisopropylbenzeneboronic acid,2,4,6-tri propan-2-yl phenyl boronic acid,2,4,6-tris propan-2-yl phenyl boronic acid,acmc-209dav,2,4,6-triisopropylphenyiboronic acid,2,4,6-triisopropylphenyl boronicacid
IUPAC Name	[2,4,6-tri(propan-2-yl)phenyl]boronic acid
InChI Key	FGFYEKLWZBTLEW-UHFFFAOYSA-N
Molecular Formula	C15H25BO2

3,399

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4-Amino-2-(trifluoromethyl)benzoic acid, 97+%

CAS: 393-06-6 Molecular Formula: C8H6F3NO2 Molecular Weight (g/mol): 205.14 MDL Number: MFCD03407959 InChI Key: AMVHEVZYTGHASE-UHFFFAOYSA-N Synonym: 4-amino-2-trifluoromethyl benzoic acid,5-amino-2-carboxybenzotrifluoride,2-trifluoromethyl-4-aminobenzoic acid,pubchem1360,4-amimo-2-trifluoromethyl benzoicacid,acmc-209j4m,ksc495q5d,rarechem al bo 0438,buttpark 44\01-93,4-amino-2-trifluoromethyl benzoicacid PubChem CID: 3836325 IUPAC Name: 4-amino-2-(trifluoromethyl)benzoic acid SMILES: NC1=CC(=C(C=C1)C(O)=O)C(F)(F)F

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Specifications

PubChem CID	3836325
CAS	393-06-6
Molecular Weight (g/mol)	205.14
MDL Number	MFCD03407959
SMILES	NC1=CC(=C(C=C1)C(O)=O)C(F)(F)F
Synonym	4-amino-2-trifluoromethyl benzoic acid,5-amino-2-carboxybenzotrifluoride,2-trifluoromethyl-4-aminobenzoic acid,pubchem1360,4-amimo-2-trifluoromethyl benzoicacid,acmc-209j4m,ksc495q5d,rarechem al bo 0438,buttpark 44\01-93,4-amino-2-trifluoromethyl benzoicacid
IUPAC Name	4-amino-2-(trifluoromethyl)benzoic acid
InChI Key	AMVHEVZYTGHASE-UHFFFAOYSA-N
Molecular Formula	C8H6F3NO2

3,400

4-(1-Methyl-1H-pyrazol-3-yl)benzoic acid, 97%, Thermo Scientific™

CAS: 915707-39-0 Molecular Formula: C11H10N2O2 Molecular Weight (g/mol): 202.21 MDL Number: MFCD09702346 InChI Key: ZIRNSRSOPMSFDK-UHFFFAOYSA-N Synonym: 4-1-methyl-1h-pyrazol-3-yl benzoic acid,4-1-methylpyrazol-3-yl benzoic acid,4-1-methyl-1h-pyrazol-3-yl benzoicacid PubChem CID: 24229466 IUPAC Name: 4-(1-methylpyrazol-3-yl)benzoic acid SMILES: CN1C=CC(=N1)C1=CC=C(C=C1)C(O)=O

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Specifications

PubChem CID	24229466
CAS	915707-39-0
Molecular Weight (g/mol)	202.21
MDL Number	MFCD09702346
SMILES	CN1C=CC(=N1)C1=CC=C(C=C1)C(O)=O
Synonym	4-1-methyl-1h-pyrazol-3-yl benzoic acid,4-1-methylpyrazol-3-yl benzoic acid,4-1-methyl-1h-pyrazol-3-yl benzoicacid
IUPAC Name	4-(1-methylpyrazol-3-yl)benzoic acid
InChI Key	ZIRNSRSOPMSFDK-UHFFFAOYSA-N
Molecular Formula	C11H10N2O2

3,401

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3-Amino-2-methylphenylboronic acid pinacol ester, 97%, Thermo Scientific Chemicals

CAS: 882678-96-8 Molecular Formula: C13H20BNO2 Molecular Weight (g/mol): 233.12 MDL Number: MFCD11054038 InChI Key: JMKMGPGFYMANCA-UHFFFAOYSA-N Synonym: 2-methyl-3-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl aniline,3-amino-2-methylphenylboronic acid, pinacol ester,3-amino-2-methylphenylboronic acid pinacol ester,2-methyl-3-4,4,5,5-tetramethyl-1,3,2 dioxaborolan-2-yl-phenylamine,3-amino-2-methylphenyl boronic acid pinacol ester,2-methyl-3-tetramethyl-1,3,2-dioxaborolan-2-yl aniline,2-methyl-3-4,4,5,5-tetramethyl-1,3,2 dioxaborolan-2-yl-phenyl-amine,2-methyl-3-4,4,5,5-tetramethyl-1,3,2 dioxaborolan-2-yl phenylamine,2-methyl-3-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl benzenamine,2-methyl-3-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl-benzenamine PubChem CID: 46738005 IUPAC Name: 2-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline SMILES: CC1=C(C=CC=C1N)B1OC(C)(C)C(C)(C)O1

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Specifications

PubChem CID	46738005
CAS	882678-96-8
Molecular Weight (g/mol)	233.12
MDL Number	MFCD11054038
SMILES	CC1=C(C=CC=C1N)B1OC(C)(C)C(C)(C)O1
Synonym	2-methyl-3-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl aniline,3-amino-2-methylphenylboronic acid, pinacol ester,3-amino-2-methylphenylboronic acid pinacol ester,2-methyl-3-4,4,5,5-tetramethyl-1,3,2 dioxaborolan-2-yl-phenylamine,3-amino-2-methylphenyl boronic acid pinacol ester,2-methyl-3-tetramethyl-1,3,2-dioxaborolan-2-yl aniline,2-methyl-3-4,4,5,5-tetramethyl-1,3,2 dioxaborolan-2-yl-phenyl-amine,2-methyl-3-4,4,5,5-tetramethyl-1,3,2 dioxaborolan-2-yl phenylamine,2-methyl-3-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl benzenamine,2-methyl-3-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl-benzenamine
IUPAC Name	2-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline
InChI Key	JMKMGPGFYMANCA-UHFFFAOYSA-N
Molecular Formula	C13H20BNO2

3,402

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1-[3,5-Bis(trifluoromethyl)phenyl]ethanol, 98%

CAS: 368-63-8 Molecular Formula: C10H8F6O Molecular Weight (g/mol): 258.16 MDL Number: MFCD01632521,MFCD03093011 InChI Key: MMSCIQKQJVBPIR-UHFFFAOYNA-N Synonym: 1-3,5-bis trifluoromethyl phenyl ethanol,3,5-bis trifluoromethyl phenyl ethanol,1-3,5-bis trifluoromethyl phenyl ethan-1-ol,alfa-methyl-3,5-ditrifluoromethylbenzyl alcohol,pubchem4672,pubchem14254,1-3,5-bis-trifluoromethylphenyl ethanol,acmc-209vt9,benzenemethanol, alpha-methyl-3,5-bis trifluoromethyl PubChem CID: 6425739 IUPAC Name: 1-[3,5-bis(trifluoromethyl)phenyl]ethanol SMILES: CC(O)C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F

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Specifications

PubChem CID	6425739
CAS	368-63-8
Molecular Weight (g/mol)	258.16
MDL Number	MFCD01632521,MFCD03093011
SMILES	CC(O)C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F
Synonym	1-3,5-bis trifluoromethyl phenyl ethanol,3,5-bis trifluoromethyl phenyl ethanol,1-3,5-bis trifluoromethyl phenyl ethan-1-ol,alfa-methyl-3,5-ditrifluoromethylbenzyl alcohol,pubchem4672,pubchem14254,1-3,5-bis-trifluoromethylphenyl ethanol,acmc-209vt9,benzenemethanol, alpha-methyl-3,5-bis trifluoromethyl
IUPAC Name	1-[3,5-bis(trifluoromethyl)phenyl]ethanol
InChI Key	MMSCIQKQJVBPIR-UHFFFAOYNA-N
Molecular Formula	C10H8F6O

3,403

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2-(Methylthio)benzoic acid, 98+%

CAS: 3724-10-5 MDL Number: MFCD00029934

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Specifications

CAS	3724-10-5
MDL Number	MFCD00029934

3,404

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2,4,6-Triisopropylbenzenesulfonamide, 98%

CAS: 105536-22-9 Molecular Formula: C15H25NO2S Molecular Weight (g/mol): 283.43 MDL Number: MFCD00051975 InChI Key: PRMNQLMPSVOZIX-UHFFFAOYSA-N Synonym: 2,4,6-triisopropylbenzenesulfonamide,2,4,6-tri propan-2-yl benzenesulfonamide,2,4,6-tris methylethyl benzenesulfonamide,cbmicro_034663,acmc-1bt32,2,4,6-triisopropylbenzenesulfonamine,benzenesulfonamide,2,4,6-tris 1-methylethyl PubChem CID: 736244 IUPAC Name: 2,4,6-tri(propan-2-yl)benzenesulfonamide SMILES: CC(C)C1=CC(C(C)C)=C(C(=C1)C(C)C)S(N)(=O)=O

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Specifications

PubChem CID	736244
CAS	105536-22-9
Molecular Weight (g/mol)	283.43
MDL Number	MFCD00051975
SMILES	CC(C)C1=CC(C(C)C)=C(C(=C1)C(C)C)S(N)(=O)=O
Synonym	2,4,6-triisopropylbenzenesulfonamide,2,4,6-tri propan-2-yl benzenesulfonamide,2,4,6-tris methylethyl benzenesulfonamide,cbmicro_034663,acmc-1bt32,2,4,6-triisopropylbenzenesulfonamine,benzenesulfonamide,2,4,6-tris 1-methylethyl
IUPAC Name	2,4,6-tri(propan-2-yl)benzenesulfonamide
InChI Key	PRMNQLMPSVOZIX-UHFFFAOYSA-N
Molecular Formula	C15H25NO2S

3,405

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

CAS: 34904-98-8 Molecular Formula: C14H14O2 Molecular Weight (g/mol): 214.264 MDL Number: MFCD08690312 InChI Key: RMRTWBZKENSMCI-UHFFFAOYSA-N Synonym: 2-phenoxymethyl phenyl methanol,benzenemethanol,2-phenoxymethyl,2-phenoxymethyl phenyl methan-1-ol PubChem CID: 22932170 IUPAC Name: [2-(phenoxymethyl)phenyl]methanol SMILES: C1=CC=C(C=C1)OCC2=CC=CC=C2CO

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Specifications

PubChem CID	22932170
CAS	34904-98-8
Molecular Weight (g/mol)	214.264
MDL Number	MFCD08690312
SMILES	C1=CC=C(C=C1)OCC2=CC=CC=C2CO
Synonym	2-phenoxymethyl phenyl methanol,benzenemethanol,2-phenoxymethyl,2-phenoxymethyl phenyl methan-1-ol
IUPAC Name	[2-(phenoxymethyl)phenyl]methanol
InChI Key	RMRTWBZKENSMCI-UHFFFAOYSA-N
Molecular Formula	C14H14O2

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