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Benzenoids

Organic compounds that are derived from or have a benzene group in their molecular structure. Benzene is an aromatic organic molecule composed of 6 carbon atoms and 6 hydrogen atoms that form a ring. Includes derivatives and substituted molecules.
Benzene and substituted derivatives (68,133)
Phenols (13,712)
Naphthalenes (5,120)
Fluorenes (1,235)
Unsubstituted Phenols (1,166)
Thiophenols (617)
Phenol esters (564)
Anthracenes (419)
Tetralins (333)
Phenanthrenes and derivatives (332)
Indanes (313)
Triphenyl compounds (277)
Pyrenes (229)
Dibenzocycloheptenes (62)
Naphthacenes (36)
Ellagic acids and derivatives (33)
Pentacenes (19)
Pentacenequinones (16)
Acenaphthylenes (15)
Perylenequinones (8)
1-hydroxylamino 2-unsubstituted benzenoids (6)

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4,021 – 4,035 of 79,319 results
4,021

Triphenyl borate, 97%

CAS: 1095-03-0 Molecular Formula: C18H15BO3 Molecular Weight (g/mol): 290.125 MDL Number: MFCD00059011 InChI Key: MDCWDBMBZLORER-UHFFFAOYSA-N Synonym: triphenoxyborane,phenyl borate,triphenoxyboron,boric acid, triphenyl ester,phenyl borate, pho 3 b,trifenylester kyseliny borite,boric acid h3bo3 , triphenyl ester,triphenyl ester boric acid,trifenylester kyseliny borite czech,boric acid triphenyl ester PubChem CID: 14182 IUPAC Name: triphenyl borate SMILES: B(OC1=CC=CC=C1)(OC2=CC=CC=C2)OC3=CC=CC=C3

PubChem CID 14182
CAS 1095-03-0
Molecular Weight (g/mol) 290.125
MDL Number MFCD00059011
SMILES B(OC1=CC=CC=C1)(OC2=CC=CC=C2)OC3=CC=CC=C3
Synonym triphenoxyborane,phenyl borate,triphenoxyboron,boric acid, triphenyl ester,phenyl borate, pho 3 b,trifenylester kyseliny borite,boric acid h3bo3 , triphenyl ester,triphenyl ester boric acid,trifenylester kyseliny borite czech,boric acid triphenyl ester
IUPAC Name triphenyl borate
InChI Key MDCWDBMBZLORER-UHFFFAOYSA-N
Molecular Formula C18H15BO3
4,022

3-Phenoxyanisole, 97%

CAS: 1655-68-1 Molecular Formula: C13H12O2 Molecular Weight (g/mol): 200.24 MDL Number: MFCD00455605 InChI Key: CBVXNDCIOLXDFD-UHFFFAOYSA-N PubChem CID: 74252 IUPAC Name: 1-methoxy-3-phenoxybenzene SMILES: COC1=CC=CC(OC2=CC=CC=C2)=C1

PubChem CID 74252
CAS 1655-68-1
Molecular Weight (g/mol) 200.24
MDL Number MFCD00455605
SMILES COC1=CC=CC(OC2=CC=CC=C2)=C1
IUPAC Name 1-methoxy-3-phenoxybenzene
InChI Key CBVXNDCIOLXDFD-UHFFFAOYSA-N
Molecular Formula C13H12O2
4,023

Homophthalonitrile, tech. 80%

CAS: 3759-28-2 Molecular Formula: C9H6N2 Molecular Weight (g/mol): 142.16 MDL Number: MFCD00001895 InChI Key: GKHSEDFDYXZGCG-UHFFFAOYSA-N Synonym: 2-cyanomethyl benzonitrile,homophthalonitrile,2-cyanobenzyl cyanide,2-cyanophenylacetonitrile,alpha-cyano-o-tolunitrile,o-cyanobenzyl cyanide,benzeneacetonitrile, 2-cyano,2-cyanobenzeneacetonitrile,o-cyanophenyl acetonitrile,o-tolunitrile, alpha-cyano PubChem CID: 77368 IUPAC Name: 2-(cyanomethyl)benzonitrile SMILES: N#CCC1=CC=CC=C1C#N

PubChem CID 77368
CAS 3759-28-2
Molecular Weight (g/mol) 142.16
MDL Number MFCD00001895
SMILES N#CCC1=CC=CC=C1C#N
Synonym 2-cyanomethyl benzonitrile,homophthalonitrile,2-cyanobenzyl cyanide,2-cyanophenylacetonitrile,alpha-cyano-o-tolunitrile,o-cyanobenzyl cyanide,benzeneacetonitrile, 2-cyano,2-cyanobenzeneacetonitrile,o-cyanophenyl acetonitrile,o-tolunitrile, alpha-cyano
IUPAC Name 2-(cyanomethyl)benzonitrile
InChI Key GKHSEDFDYXZGCG-UHFFFAOYSA-N
Molecular Formula C9H6N2
4,024

4-Nitrophenylacetonitrile, 98%

CAS: 555-21-5 Molecular Formula: C8H6N2O2 Molecular Weight (g/mol): 162.148 MDL Number: MFCD00007372 InChI Key: PXNJGLAVKOXITN-UHFFFAOYSA-N Synonym: 4-nitrophenylacetonitrile,p-nitrophenylacetonitrile,benzeneacetonitrile, 4-nitro,4-nitrobenzyl cyanide,2-4-nitrophenyl acetonitrile,p-nitrobenzyl cyanide,p-nitrobenzylcyanide,4-nitrobenzeneacetonitrile,acetonitrile, p-nitrophenyl,p-nitrophenyl acetonitrile PubChem CID: 68386 IUPAC Name: 2-(4-nitrophenyl)acetonitrile SMILES: C1=CC(=CC=C1CC#N)[N+](=O)[O-]

PubChem CID 68386
CAS 555-21-5
Molecular Weight (g/mol) 162.148
MDL Number MFCD00007372
SMILES C1=CC(=CC=C1CC#N)[N+](=O)[O-]
Synonym 4-nitrophenylacetonitrile,p-nitrophenylacetonitrile,benzeneacetonitrile, 4-nitro,4-nitrobenzyl cyanide,2-4-nitrophenyl acetonitrile,p-nitrobenzyl cyanide,p-nitrobenzylcyanide,4-nitrobenzeneacetonitrile,acetonitrile, p-nitrophenyl,p-nitrophenyl acetonitrile
IUPAC Name 2-(4-nitrophenyl)acetonitrile
InChI Key PXNJGLAVKOXITN-UHFFFAOYSA-N
Molecular Formula C8H6N2O2
4,025

N-Fmoc-3-(4-pyridyl)-L-alanine, 95%

CAS: 169555-95-7 Molecular Formula: C23H20N2O4 Molecular Weight (g/mol): 388.423 MDL Number: MFCD00672566 InChI Key: SCSSXJVRZMQUKA-NRFANRHFSA-N Synonym: fmoc-l-4-pyridylalanine,fmoc-4-pal-oh,fmoc-3-4-pyridyl-l-alanine,fmoc-ala 4-pyridyl-oh,fmoc-beta-4-pyridyl-ala-oh,n-fmoc-3-4-pyridyl-l-alanine,fmoc-l-3-4-pyridyl-alanine,fmoc-4'-pyridyl-l-ala,s-2-9h-fluoren-9-yl methoxy carbonyl amino-3-pyridin-4-yl propanoic acid,fmoc-3-4-pyridyl-d-alanine PubChem CID: 978322 IUPAC Name: (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-pyridin-4-ylpropanoic acid SMILES: C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)NC(CC4=CC=NC=C4)C(=O)O

PubChem CID 978322
CAS 169555-95-7
Molecular Weight (g/mol) 388.423
MDL Number MFCD00672566
SMILES C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)NC(CC4=CC=NC=C4)C(=O)O
Synonym fmoc-l-4-pyridylalanine,fmoc-4-pal-oh,fmoc-3-4-pyridyl-l-alanine,fmoc-ala 4-pyridyl-oh,fmoc-beta-4-pyridyl-ala-oh,n-fmoc-3-4-pyridyl-l-alanine,fmoc-l-3-4-pyridyl-alanine,fmoc-4'-pyridyl-l-ala,s-2-9h-fluoren-9-yl methoxy carbonyl amino-3-pyridin-4-yl propanoic acid,fmoc-3-4-pyridyl-d-alanine
IUPAC Name (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-pyridin-4-ylpropanoic acid
InChI Key SCSSXJVRZMQUKA-NRFANRHFSA-N
Molecular Formula C23H20N2O4
4,026

3-Fluoro-4-(2-pyridylcarbamoyl)benzeneboronic acid, 97%

CAS: 1449133-22-5 Molecular Formula: C12H10BFN2O3 Molecular Weight (g/mol): 260.031 MDL Number: MFCD20265181 InChI Key: CIQKUPRZPUUGGK-UHFFFAOYSA-N Synonym: 3-fluoro-4-2-pyridylcarbamoyl benzeneboronic acid,3-fluoro-4-pyridin-2-yl carbamoyl phenylboronic acid,3-fluoro-4-2-pyridylcarbamoyl phenylboronic acid PubChem CID: 73995642 IUPAC Name: [3-fluoro-4-(pyridin-2-ylcarbamoyl)phenyl]boronic acid SMILES: B(C1=CC(=C(C=C1)C(=O)NC2=CC=CC=N2)F)(O)O

PubChem CID 73995642
CAS 1449133-22-5
Molecular Weight (g/mol) 260.031
MDL Number MFCD20265181
SMILES B(C1=CC(=C(C=C1)C(=O)NC2=CC=CC=N2)F)(O)O
Synonym 3-fluoro-4-2-pyridylcarbamoyl benzeneboronic acid,3-fluoro-4-pyridin-2-yl carbamoyl phenylboronic acid,3-fluoro-4-2-pyridylcarbamoyl phenylboronic acid
IUPAC Name [3-fluoro-4-(pyridin-2-ylcarbamoyl)phenyl]boronic acid
InChI Key CIQKUPRZPUUGGK-UHFFFAOYSA-N
Molecular Formula C12H10BFN2O3
4,027

N-Fmoc-3-(3-pyridyl)-L-alanine, 95%

CAS: 175453-07-3 Molecular Formula: C23H20N2O4 Molecular Weight (g/mol): 388.423 MDL Number: MFCD00144887 InChI Key: JQLPMTXRCLXOJO-NRFANRHFSA-N Synonym: fmoc-3-3-pyridyl-l-alanine,fmoc-l-3-pyridylalanine,fmoc-3-pal-oh,fmoc-beta-3-pyridyl-ala-oh,fmoc-l-3-3-pyridyl-alanine,fmoc-3-pyridyl-ala-oh,fmoc-3'-pyridyl-l-ala,s-2-9h-fluoren-9-yl methoxy carbonyl amino-3-pyridin-3-yl propanoic acid,n-fmoc-3-3-pyridyl-l-alanine,fmoc-d-3-3-pyridyl-alanine PubChem CID: 6957974 IUPAC Name: (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-pyridin-3-ylpropanoic acid SMILES: C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)NC(CC4=CN=CC=C4)C(=O)O

PubChem CID 6957974
CAS 175453-07-3
Molecular Weight (g/mol) 388.423
MDL Number MFCD00144887
SMILES C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)NC(CC4=CN=CC=C4)C(=O)O
Synonym fmoc-3-3-pyridyl-l-alanine,fmoc-l-3-pyridylalanine,fmoc-3-pal-oh,fmoc-beta-3-pyridyl-ala-oh,fmoc-l-3-3-pyridyl-alanine,fmoc-3-pyridyl-ala-oh,fmoc-3'-pyridyl-l-ala,s-2-9h-fluoren-9-yl methoxy carbonyl amino-3-pyridin-3-yl propanoic acid,n-fmoc-3-3-pyridyl-l-alanine,fmoc-d-3-3-pyridyl-alanine
IUPAC Name (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-pyridin-3-ylpropanoic acid
InChI Key JQLPMTXRCLXOJO-NRFANRHFSA-N
Molecular Formula C23H20N2O4
4,028

3-Benzyloxypyrrolidine, 96%

CAS: 420137-14-0 Molecular Formula: C11H15NO Molecular Weight (g/mol): 177.247 MDL Number: MFCD08060975 InChI Key: CWBMYKUPMLRKQK-UHFFFAOYSA-N Synonym: 3-benzyloxy pyrrolidine,3-benzyloxypyrrolidine,3-benzyloxy-pyrrolidine,3-phenylmethoxy pyrrolidine,benzyl pyrrolidin-3-yl ether,pyrrolidin-3-yl oxy methyl benzene PubChem CID: 14497353 IUPAC Name: 3-phenylmethoxypyrrolidine SMILES: C1CNCC1OCC2=CC=CC=C2

PubChem CID 14497353
CAS 420137-14-0
Molecular Weight (g/mol) 177.247
MDL Number MFCD08060975
SMILES C1CNCC1OCC2=CC=CC=C2
Synonym 3-benzyloxy pyrrolidine,3-benzyloxypyrrolidine,3-benzyloxy-pyrrolidine,3-phenylmethoxy pyrrolidine,benzyl pyrrolidin-3-yl ether,pyrrolidin-3-yl oxy methyl benzene
IUPAC Name 3-phenylmethoxypyrrolidine
InChI Key CWBMYKUPMLRKQK-UHFFFAOYSA-N
Molecular Formula C11H15NO
4,029

1-Ethynylpyrene, 96%

CAS: 34993-56-1 Molecular Formula: C18H10 Molecular Weight (g/mol): 226.28 MDL Number: MFCD02093933 InChI Key: VEBUBSLYGRMOSZ-UHFFFAOYSA-N Synonym: 1-ethynyl pyrene,pyrene, 1-ethynyl,ethynylpyrene,1-pyrenylethyne,ccris 4256,acmc-20aov2 PubChem CID: 154905 IUPAC Name: 1-ethynylpyrene SMILES: C#CC1=CC=C2C=CC3=CC=CC4=CC=C1C2=C34

PubChem CID 154905
CAS 34993-56-1
Molecular Weight (g/mol) 226.28
MDL Number MFCD02093933
SMILES C#CC1=CC=C2C=CC3=CC=CC4=CC=C1C2=C34
Synonym 1-ethynyl pyrene,pyrene, 1-ethynyl,ethynylpyrene,1-pyrenylethyne,ccris 4256,acmc-20aov2
IUPAC Name 1-ethynylpyrene
InChI Key VEBUBSLYGRMOSZ-UHFFFAOYSA-N
Molecular Formula C18H10
4,030

tert-Butyl 4'-(bromomethyl)biphenyl-2-carboxylate, 97%

CAS: 114772-40-6 Molecular Formula: C18H19BrO2 Molecular Weight (g/mol): 347.252 MDL Number: MFCD06657561 InChI Key: YHXCWNQNVMAENQ-UHFFFAOYSA-N Synonym: 2-boc-4'-bromomethyl biphenyl,tert-butyl 4'-bromomethyl biphenyl-2-carboxylate,tert-butyl 2-4-bromomethyl phenyl benzoate,tert-butyl 4'-bromomethyl-1,1'-biphenyl-2-carboxylate,unii-me3i28o0tc,tert-butyl 4'-bromomethyl-2-biphenylcarboxylate,me3i28o0tc,telmisartan impurity h,tert-butyl 2-4-bromomethylphenyl benzoate,1,1-dimethylethyl 4'-bromomethyl biphenyl-2-carboxylate PubChem CID: 9906257 IUPAC Name: tert-butyl 2-[4-(bromomethyl)phenyl]benzoate SMILES: CC(C)(C)OC(=O)C1=CC=CC=C1C2=CC=C(C=C2)CBr

PubChem CID 9906257
CAS 114772-40-6
Molecular Weight (g/mol) 347.252
MDL Number MFCD06657561
SMILES CC(C)(C)OC(=O)C1=CC=CC=C1C2=CC=C(C=C2)CBr
Synonym 2-boc-4'-bromomethyl biphenyl,tert-butyl 4'-bromomethyl biphenyl-2-carboxylate,tert-butyl 2-4-bromomethyl phenyl benzoate,tert-butyl 4'-bromomethyl-1,1'-biphenyl-2-carboxylate,unii-me3i28o0tc,tert-butyl 4'-bromomethyl-2-biphenylcarboxylate,me3i28o0tc,telmisartan impurity h,tert-butyl 2-4-bromomethylphenyl benzoate,1,1-dimethylethyl 4'-bromomethyl biphenyl-2-carboxylate
IUPAC Name tert-butyl 2-[4-(bromomethyl)phenyl]benzoate
InChI Key YHXCWNQNVMAENQ-UHFFFAOYSA-N
Molecular Formula C18H19BrO2
4,031

2-Bromo-3-fluorotoluene, 98%, Thermo Scientific Chemicals

CAS: 59907-13-0 Molecular Formula: C7H6BrF Molecular Weight (g/mol): 189.027 MDL Number: MFCD08458010 InChI Key: FYCXRRYRNRDSRM-UHFFFAOYSA-N Synonym: 2-bromo-3-fluorotoluene,3-fluoro-2-bromo toluene,benzene, 2-bromo-1-fluoro-3-methyl,2-brom-1-fluor-3-methylbenzol,pubchem4518,acmc-1awko,ksc493o4f,2-bromo-1-fluoro-3-methyl-benzene PubChem CID: 108856 IUPAC Name: 2-bromo-1-fluoro-3-methylbenzene SMILES: CC1=C(C(=CC=C1)F)Br

PubChem CID 108856
CAS 59907-13-0
Molecular Weight (g/mol) 189.027
MDL Number MFCD08458010
SMILES CC1=C(C(=CC=C1)F)Br
Synonym 2-bromo-3-fluorotoluene,3-fluoro-2-bromo toluene,benzene, 2-bromo-1-fluoro-3-methyl,2-brom-1-fluor-3-methylbenzol,pubchem4518,acmc-1awko,ksc493o4f,2-bromo-1-fluoro-3-methyl-benzene
IUPAC Name 2-bromo-1-fluoro-3-methylbenzene
InChI Key FYCXRRYRNRDSRM-UHFFFAOYSA-N
Molecular Formula C7H6BrF
4,032

4-Benzyloxybenzyl alcohol, 98+%

CAS: 836-43-1 Molecular Formula: C14H14O2 Molecular Weight (g/mol): 214.26 MDL Number: MFCD00004654 InChI Key: OEBIVOHKFYSBPE-UHFFFAOYSA-N Synonym: 4-benzyloxybenzyl alcohol,4-benzyloxy phenyl methanol,p-benzyloxybenzyl alcohol,4-benzyloxybenzylalcohol,4-benzyloxy benzyl alcohol,benzenemethanol, 4-phenylmethoxy,p-alkoxybenzyl alcohol resin,4-phenylmethoxyphenyl methanol,argopore-wang PubChem CID: 70043 ChEBI: CHEBI:29486 IUPAC Name: (4-phenylmethoxyphenyl)methanol SMILES: OCC1=CC=C(OCC2=CC=CC=C2)C=C1

PubChem CID 70043
CAS 836-43-1
Molecular Weight (g/mol) 214.26
ChEBI CHEBI:29486
MDL Number MFCD00004654
SMILES OCC1=CC=C(OCC2=CC=CC=C2)C=C1
Synonym 4-benzyloxybenzyl alcohol,4-benzyloxy phenyl methanol,p-benzyloxybenzyl alcohol,4-benzyloxybenzylalcohol,4-benzyloxy benzyl alcohol,benzenemethanol, 4-phenylmethoxy,p-alkoxybenzyl alcohol resin,4-phenylmethoxyphenyl methanol,argopore-wang
IUPAC Name (4-phenylmethoxyphenyl)methanol
InChI Key OEBIVOHKFYSBPE-UHFFFAOYSA-N
Molecular Formula C14H14O2
4,033

3-Chlorobenzoic acid, 99+%

CAS: 535-80-8 MDL Number: MFCD00002491 InChI Key: LULAYUGMBFYYEX-UHFFFAOYSA-N Synonym: m-chlorobenzoic acid,benzoic acid, 3-chloro,benzoic acid, m-chloro,3-chlorobenzoicacid,3-chloro-benzoic acid,m-chlorobenzoate,acido m-clorobenzoico,unii-02uoj7064k,mcba,ccris 5992 PubChem CID: 447 ChEBI: CHEBI:49410 IUPAC Name: 3-chlorobenzoic acid SMILES: C1=CC(=CC(=C1)Cl)C(=O)O

PubChem CID 447
CAS 535-80-8
ChEBI CHEBI:49410
MDL Number MFCD00002491
SMILES C1=CC(=CC(=C1)Cl)C(=O)O
Synonym m-chlorobenzoic acid,benzoic acid, 3-chloro,benzoic acid, m-chloro,3-chlorobenzoicacid,3-chloro-benzoic acid,m-chlorobenzoate,acido m-clorobenzoico,unii-02uoj7064k,mcba,ccris 5992
IUPAC Name 3-chlorobenzoic acid
InChI Key LULAYUGMBFYYEX-UHFFFAOYSA-N
4,034

Thiocarbanilide, 98%

CAS: 102-08-9 Molecular Formula: C13H12N2S Molecular Weight (g/mol): 228.31 MDL Number: MFCD00004921 InChI Key: FCSHMCFRCYZTRQ-UHFFFAOYSA-N Synonym: thiocarbanilide,diphenylthiourea,1,3-diphenyl-2-thiourea,n,n'-diphenylthiourea,sulfocarbanilide,sym-diphenylthiourea,thiourea, n,n'-diphenyl,stabilisator c,rhenocure ca,vulkacit ca PubChem CID: 700999 IUPAC Name: 1,3-diphenylthiourea SMILES: S=C(NC1=CC=CC=C1)NC1=CC=CC=C1

PubChem CID 700999
CAS 102-08-9
Molecular Weight (g/mol) 228.31
MDL Number MFCD00004921
SMILES S=C(NC1=CC=CC=C1)NC1=CC=CC=C1
Synonym thiocarbanilide,diphenylthiourea,1,3-diphenyl-2-thiourea,n,n'-diphenylthiourea,sulfocarbanilide,sym-diphenylthiourea,thiourea, n,n'-diphenyl,stabilisator c,rhenocure ca,vulkacit ca
IUPAC Name 1,3-diphenylthiourea
InChI Key FCSHMCFRCYZTRQ-UHFFFAOYSA-N
Molecular Formula C13H12N2S
4,035

N-Isopropyl-4-methylbenzenesulfonamide, 97%

CAS: 21230-07-9 Molecular Formula: C10H15NO2S Molecular Weight (g/mol): 213.295 MDL Number: MFCD00543042 InChI Key: NXUHAAIJVABUMJ-UHFFFAOYSA-N Synonym: n-isopropyl-4-methylbenzenesulfonamide,4-methyl-n-propan-2-yl benzene-1-sulfonamide,n-isopropyl-p-toluenesulfonamide,4-methyl-n-propan-2-yl benzenesulfonamide,methylethyl 4-methylphenyl sulfonyl amine PubChem CID: 4329528 IUPAC Name: 4-methyl-N-propan-2-ylbenzenesulfonamide SMILES: CC1=CC=C(C=C1)S(=O)(=O)NC(C)C

PubChem CID 4329528
CAS 21230-07-9
Molecular Weight (g/mol) 213.295
MDL Number MFCD00543042
SMILES CC1=CC=C(C=C1)S(=O)(=O)NC(C)C
Synonym n-isopropyl-4-methylbenzenesulfonamide,4-methyl-n-propan-2-yl benzene-1-sulfonamide,n-isopropyl-p-toluenesulfonamide,4-methyl-n-propan-2-yl benzenesulfonamide,methylethyl 4-methylphenyl sulfonyl amine
IUPAC Name 4-methyl-N-propan-2-ylbenzenesulfonamide
InChI Key NXUHAAIJVABUMJ-UHFFFAOYSA-N
Molecular Formula C10H15NO2S