Benzenoids
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4-Acetoxybiphenyl 99.0+%, TCI America™
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CAS: 148-86-7 Molecular Formula: C14H12O2 Molecular Weight (g/mol): 212.25 MDL Number: MFCD00014979 InChI Key: MISFQCBPASYYGV-UHFFFAOYSA-N Synonym: 4-acetoxybiphenyl,4-biphenylyl acetate,p-phenylphenyl acetate,4-biphenylol, acetate,1,1'-biphenyl-4-yl acetate,acetic acid 4-biphenyl ester,1,1'-biphenyl-4-ol,4-acetate,4-biphenyl acetate,p-phenylphenol acetate,4-phenylphenol acetate PubChem CID: 346066 IUPAC Name: [1,1'-biphenyl]-4-yl acetate SMILES: CC(=O)OC1=CC=C(C=C1)C1=CC=CC=C1
| PubChem CID | 346066 |
|---|---|
| CAS | 148-86-7 |
| Molecular Weight (g/mol) | 212.25 |
| MDL Number | MFCD00014979 |
| SMILES | CC(=O)OC1=CC=C(C=C1)C1=CC=CC=C1 |
| Synonym | 4-acetoxybiphenyl,4-biphenylyl acetate,p-phenylphenyl acetate,4-biphenylol, acetate,1,1'-biphenyl-4-yl acetate,acetic acid 4-biphenyl ester,1,1'-biphenyl-4-ol,4-acetate,4-biphenyl acetate,p-phenylphenol acetate,4-phenylphenol acetate |
| IUPAC Name | [1,1'-biphenyl]-4-yl acetate |
| InChI Key | MISFQCBPASYYGV-UHFFFAOYSA-N |
| Molecular Formula | C14H12O2 |
Triphenylphosphine Sulfide 99.0+%, TCI America™
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CAS: 3878-45-3 Molecular Formula: C18H15PS Molecular Weight (g/mol): 294.35 MDL Number: MFCD00004917 InChI Key: VYNGFCUGSYEOOZ-UHFFFAOYSA-N Synonym: triphenylphosphine sulfide,phosphine sulfide, triphenyl,triphenylphosphine sulphide,triphenylphosphine monosulfide,triphenylphosphane sulfide,triphenylphosphino-1-thione,triphenylthioxophosphorane,triphenylphosphorus sulfide,wln: spr&r&r,triphenyl-,e5-phosphanethione PubChem CID: 19758 IUPAC Name: triphenyl-λ⁵-phosphanethione SMILES: S=P(C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1
| PubChem CID | 19758 |
|---|---|
| CAS | 3878-45-3 |
| Molecular Weight (g/mol) | 294.35 |
| MDL Number | MFCD00004917 |
| SMILES | S=P(C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1 |
| Synonym | triphenylphosphine sulfide,phosphine sulfide, triphenyl,triphenylphosphine sulphide,triphenylphosphine monosulfide,triphenylphosphane sulfide,triphenylphosphino-1-thione,triphenylthioxophosphorane,triphenylphosphorus sulfide,wln: spr&r&r,triphenyl-,e5-phosphanethione |
| IUPAC Name | triphenyl-λ⁵-phosphanethione |
| InChI Key | VYNGFCUGSYEOOZ-UHFFFAOYSA-N |
| Molecular Formula | C18H15PS |
4-Chloro-m-cresol 99.0+%, TCI America™
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CAS: 59-50-7 Molecular Formula: C7H7ClO Molecular Weight (g/mol): 142.582 MDL Number: MFCD00002323 InChI Key: CFKMVGJGLGKFKI-UHFFFAOYSA-N Synonym: chlorocresol,4-chloro-m-cresol,baktol,parol,p-chloro-m-cresol,ottafact,phenol, 4-chloro-3-methyl,4-chloro-3-cresol,candaseptic,baktolan PubChem CID: 1732 ChEBI: CHEBI:34395 IUPAC Name: 4-chloro-3-methylphenol SMILES: CC1=C(C=CC(=C1)O)Cl
| PubChem CID | 1732 |
|---|---|
| CAS | 59-50-7 |
| Molecular Weight (g/mol) | 142.582 |
| ChEBI | CHEBI:34395 |
| MDL Number | MFCD00002323 |
| SMILES | CC1=C(C=CC(=C1)O)Cl |
| Synonym | chlorocresol,4-chloro-m-cresol,baktol,parol,p-chloro-m-cresol,ottafact,phenol, 4-chloro-3-methyl,4-chloro-3-cresol,candaseptic,baktolan |
| IUPAC Name | 4-chloro-3-methylphenol |
| InChI Key | CFKMVGJGLGKFKI-UHFFFAOYSA-N |
| Molecular Formula | C7H7ClO |
4-Chloro-2-fluoro-1-iodobenzene 98.0+%, TCI America™
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CAS: 6797-79-1 Molecular Formula: C6H3ClFI Molecular Weight (g/mol): 256.44 MDL Number: MFCD00079729 InChI Key: RSTFBOIFYXJIMR-UHFFFAOYSA-N Synonym: 4-chloro-2-fluoroiodobenzene,2-fluoro-4-chloroiodobenzene,1-chloro-3-fluoro-4-iodobenzene,4-chloro-2-fluoro-1-iodo-benzene,4-chloro-2-fluoro-iodobenzene,pubchem3435,acmc-1b71k,2-iodo-5-chlorofluorobenzene,2-iodo-5-chlorofluoro benzene,3-fluoro-4-iodophenyl chloride PubChem CID: 2736562 IUPAC Name: 4-chloro-2-fluoro-1-iodobenzene SMILES: FC1=C(I)C=CC(Cl)=C1
| PubChem CID | 2736562 |
|---|---|
| CAS | 6797-79-1 |
| Molecular Weight (g/mol) | 256.44 |
| MDL Number | MFCD00079729 |
| SMILES | FC1=C(I)C=CC(Cl)=C1 |
| Synonym | 4-chloro-2-fluoroiodobenzene,2-fluoro-4-chloroiodobenzene,1-chloro-3-fluoro-4-iodobenzene,4-chloro-2-fluoro-1-iodo-benzene,4-chloro-2-fluoro-iodobenzene,pubchem3435,acmc-1b71k,2-iodo-5-chlorofluorobenzene,2-iodo-5-chlorofluoro benzene,3-fluoro-4-iodophenyl chloride |
| IUPAC Name | 4-chloro-2-fluoro-1-iodobenzene |
| InChI Key | RSTFBOIFYXJIMR-UHFFFAOYSA-N |
| Molecular Formula | C6H3ClFI |
2-Phenyl-2-propanol 98.0+%, TCI America™
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CAS: 617-94-7 Molecular Formula: C9H12O Molecular Weight (g/mol): 136.19 MDL Number: MFCD00004456 InChI Key: BDCFWIDZNLCTMF-UHFFFAOYSA-N Synonym: 2-phenyl-2-propanol,dimethylphenylcarbinol,1-hydroxycumene,dimethylphenylmethanol,alpha-cumyl alcohol,phenyldimethylcarbinol,2-propanol, 2-phenyl,2-phenylisopropanol,alpha,alpha-dimethylbenzyl alcohol,2-phenyl-propan-2-ol PubChem CID: 12053 IUPAC Name: 2-phenylpropan-2-ol SMILES: CC(C)(O)C1=CC=CC=C1
| PubChem CID | 12053 |
|---|---|
| CAS | 617-94-7 |
| Molecular Weight (g/mol) | 136.19 |
| MDL Number | MFCD00004456 |
| SMILES | CC(C)(O)C1=CC=CC=C1 |
| Synonym | 2-phenyl-2-propanol,dimethylphenylcarbinol,1-hydroxycumene,dimethylphenylmethanol,alpha-cumyl alcohol,phenyldimethylcarbinol,2-propanol, 2-phenyl,2-phenylisopropanol,alpha,alpha-dimethylbenzyl alcohol,2-phenyl-propan-2-ol |
| IUPAC Name | 2-phenylpropan-2-ol |
| InChI Key | BDCFWIDZNLCTMF-UHFFFAOYSA-N |
| Molecular Formula | C9H12O |
Perylene (purified by sublimation) 99.0+%, TCI America™
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CAS: 198-55-0 Molecular Formula: C20H12 Molecular Weight (g/mol): 252.316 MDL Number: MFCD00004142 InChI Key: CSHWQDPOILHKBI-UHFFFAOYSA-N Synonym: peri-dinaphthalene,perilene,dibenz de,kl anthracene,alpha-perylene,perylen,unii-5qd5427un7,ccris 1231,perylen-1-yl,perylen-2-yl PubChem CID: 9142 ChEBI: CHEBI:29861 IUPAC Name: perylene SMILES: C1=CC2=C3C(=C1)C4=CC=CC5=C4C(=CC=C5)C3=CC=C2
| PubChem CID | 9142 |
|---|---|
| CAS | 198-55-0 |
| Molecular Weight (g/mol) | 252.316 |
| ChEBI | CHEBI:29861 |
| MDL Number | MFCD00004142 |
| SMILES | C1=CC2=C3C(=C1)C4=CC=CC5=C4C(=CC=C5)C3=CC=C2 |
| Synonym | peri-dinaphthalene,perilene,dibenz de,kl anthracene,alpha-perylene,perylen,unii-5qd5427un7,ccris 1231,perylen-1-yl,perylen-2-yl |
| IUPAC Name | perylene |
| InChI Key | CSHWQDPOILHKBI-UHFFFAOYSA-N |
| Molecular Formula | C20H12 |
Pararosaniline Hydrochloride 95.0+%, TCI America™
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CAS: 569-61-9 Molecular Formula: C19H18ClN3 Molecular Weight (g/mol): 323.824 MDL Number: MFCD00001657 InChI Key: JUQPZRLQQYSMEQ-UHFFFAOYSA-N Synonym: basic red 9,pararosaniline hydrochloride,parafuchsin,pararosaniline chloride,parafuchsine,p-fuchsin,basic fuchsin,ci basic red 9,c.i. basic red 9,parafuksin PubChem CID: 11292 ChEBI: CHEBI:87663 IUPAC Name: 4-[(4-aminophenyl)-(4-iminocyclohexa-2,5-dien-1-ylidene)methyl]aniline;hydrochloride SMILES: C1=CC(=N)C=CC1=C(C2=CC=C(C=C2)N)C3=CC=C(C=C3)N.Cl
| PubChem CID | 11292 |
|---|---|
| CAS | 569-61-9 |
| Molecular Weight (g/mol) | 323.824 |
| ChEBI | CHEBI:87663 |
| MDL Number | MFCD00001657 |
| SMILES | C1=CC(=N)C=CC1=C(C2=CC=C(C=C2)N)C3=CC=C(C=C3)N.Cl |
| Synonym | basic red 9,pararosaniline hydrochloride,parafuchsin,pararosaniline chloride,parafuchsine,p-fuchsin,basic fuchsin,ci basic red 9,c.i. basic red 9,parafuksin |
| IUPAC Name | 4-[(4-aminophenyl)-(4-iminocyclohexa-2,5-dien-1-ylidene)methyl]aniline;hydrochloride |
| InChI Key | JUQPZRLQQYSMEQ-UHFFFAOYSA-N |
| Molecular Formula | C19H18ClN3 |
Pentafluorobenzenethiol 98.0+%, TCI America™
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CAS: 771-62-0 Molecular Formula: C6HF5S Molecular Weight (g/mol): 200.13 MDL Number: MFCD00004828 InChI Key: UVAMFBJPMUMURT-UHFFFAOYSA-N Synonym: pentafluorothiophenol,pentafluorobenzenethiol,benzenethiol, pentafluoro,pentafluorophenyl mercaptan,2,3,4,5,6-pentafluorothiophenol,2,3,4,5,6-pentafluorobenzene-1-thiol,pentafluorobenzene thiol,pentafluorobenzene-1-thiol,2,3,4,5,6-pentafluorothiphenol PubChem CID: 13042 IUPAC Name: pentafluorobenzene-1-thiol SMILES: FC1=C(F)C(F)=C(S)C(F)=C1F
| PubChem CID | 13042 |
|---|---|
| CAS | 771-62-0 |
| Molecular Weight (g/mol) | 200.13 |
| MDL Number | MFCD00004828 |
| SMILES | FC1=C(F)C(F)=C(S)C(F)=C1F |
| Synonym | pentafluorothiophenol,pentafluorobenzenethiol,benzenethiol, pentafluoro,pentafluorophenyl mercaptan,2,3,4,5,6-pentafluorothiophenol,2,3,4,5,6-pentafluorobenzene-1-thiol,pentafluorobenzene thiol,pentafluorobenzene-1-thiol,2,3,4,5,6-pentafluorothiphenol |
| IUPAC Name | pentafluorobenzene-1-thiol |
| InChI Key | UVAMFBJPMUMURT-UHFFFAOYSA-N |
| Molecular Formula | C6HF5S |
2-(Trifluoromethoxy)benzenesulfonamide 98.0+%, TCI America™
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CAS: 37526-59-3 Molecular Formula: C7H6F3NO3S Molecular Weight (g/mol): 241.18 MDL Number: MFCD01320751 InChI Key: HIFGQHGWMTZMOH-UHFFFAOYSA-N Synonym: 2-trifluoromethoxy benzenesulfonamide,benzenesulfonamide, 2-trifluoromethoxy,unii-3dq25354mb,2-trifluoromethoxy benzenesulphonamide,2-trifluoromethoxy benzene-1-sulfonamide,acmc-209itm,dsstox_cid_24930,dsstox_rid_80595,dsstox_gsid_44930,ksc222c3t PubChem CID: 2777208 IUPAC Name: 2-(trifluoromethoxy)benzene-1-sulfonamide SMILES: NS(=O)(=O)C1=CC=CC=C1OC(F)(F)F
| PubChem CID | 2777208 |
|---|---|
| CAS | 37526-59-3 |
| Molecular Weight (g/mol) | 241.18 |
| MDL Number | MFCD01320751 |
| SMILES | NS(=O)(=O)C1=CC=CC=C1OC(F)(F)F |
| Synonym | 2-trifluoromethoxy benzenesulfonamide,benzenesulfonamide, 2-trifluoromethoxy,unii-3dq25354mb,2-trifluoromethoxy benzenesulphonamide,2-trifluoromethoxy benzene-1-sulfonamide,acmc-209itm,dsstox_cid_24930,dsstox_rid_80595,dsstox_gsid_44930,ksc222c3t |
| IUPAC Name | 2-(trifluoromethoxy)benzene-1-sulfonamide |
| InChI Key | HIFGQHGWMTZMOH-UHFFFAOYSA-N |
| Molecular Formula | C7H6F3NO3S |
3-Fluoro-4-nitrobenzaldehyde 97.0+%, TCI America™
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CAS: 160538-51-2 Molecular Formula: C7H4FNO3 Molecular Weight (g/mol): 169.111 MDL Number: MFCD00968940 InChI Key: BWUIGISQVCIQBT-UHFFFAOYSA-N PubChem CID: 3808120 IUPAC Name: 3-fluoro-4-nitrobenzaldehyde SMILES: C1=CC(=C(C=C1C=O)F)[N+](=O)[O-]
| PubChem CID | 3808120 |
|---|---|
| CAS | 160538-51-2 |
| Molecular Weight (g/mol) | 169.111 |
| MDL Number | MFCD00968940 |
| SMILES | C1=CC(=C(C=C1C=O)F)[N+](=O)[O-] |
| IUPAC Name | 3-fluoro-4-nitrobenzaldehyde |
| InChI Key | BWUIGISQVCIQBT-UHFFFAOYSA-N |
| Molecular Formula | C7H4FNO3 |
tert-Butyl [Bis(4-methoxyphenyl)phosphinyloxy]carbamate 95.0+%, TCI America™
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CAS: 619333-95-8 Molecular Formula: C19H24NO6P Molecular Weight (g/mol): 393.38 MDL Number: MFCD08276321 InChI Key: BNMBQDIFMJFRAF-UHFFFAOYSA-N Synonym: [Bis(4-methoxyphenyl)phosphinyloxy]carbamic Acid tert-Butyl Ester, O-[Bis(4-methoxyphenyl)phosphinyl]-N-Boc-hydroxylamine, O-[Bis(4-methoxyphenyl)phosphinyl]-N-(tert-butoxycarbonyl)hydroxylamine PubChem CID: 44629804 IUPAC Name: tert-butyl N-{[bis(4-methoxyphenyl)phosphoroso]oxy}carbamate SMILES: COC1=CC=C(C=C1)P(=O)(ONC(=O)OC(C)(C)C)C1=CC=C(OC)C=C1
| PubChem CID | 44629804 |
|---|---|
| CAS | 619333-95-8 |
| Molecular Weight (g/mol) | 393.38 |
| MDL Number | MFCD08276321 |
| SMILES | COC1=CC=C(C=C1)P(=O)(ONC(=O)OC(C)(C)C)C1=CC=C(OC)C=C1 |
| Synonym | [Bis(4-methoxyphenyl)phosphinyloxy]carbamic Acid tert-Butyl Ester, O-[Bis(4-methoxyphenyl)phosphinyl]-N-Boc-hydroxylamine, O-[Bis(4-methoxyphenyl)phosphinyl]-N-(tert-butoxycarbonyl)hydroxylamine |
| IUPAC Name | tert-butyl N-{[bis(4-methoxyphenyl)phosphoroso]oxy}carbamate |
| InChI Key | BNMBQDIFMJFRAF-UHFFFAOYSA-N |
| Molecular Formula | C19H24NO6P |
Benzyl 2-Bromoethyl Ether 97.0+%, TCI America™
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CAS: 1462-37-9 Molecular Formula: C9H11BrO Molecular Weight (g/mol): 215.09 MDL Number: MFCD01321307 InChI Key: FWOHDAGPWDEWIB-UHFFFAOYSA-N Synonym: benzyl 2-bromoethyl ether,2-bromoethoxy methyl benzene,2-benzyloxy-1-bromoethane,benzyloxyethyl bromide,benzene, 2-bromoethoxy methyl,1-bromo-2-benzyloxyethane,2-bromoethoxymethyl benzene,2-bromo-ethoxymethyl-benzene PubChem CID: 73833 IUPAC Name: 2-bromoethoxymethylbenzene SMILES: C1=CC=C(C=C1)COCCBr
| PubChem CID | 73833 |
|---|---|
| CAS | 1462-37-9 |
| Molecular Weight (g/mol) | 215.09 |
| MDL Number | MFCD01321307 |
| SMILES | C1=CC=C(C=C1)COCCBr |
| Synonym | benzyl 2-bromoethyl ether,2-bromoethoxy methyl benzene,2-benzyloxy-1-bromoethane,benzyloxyethyl bromide,benzene, 2-bromoethoxy methyl,1-bromo-2-benzyloxyethane,2-bromoethoxymethyl benzene,2-bromo-ethoxymethyl-benzene |
| IUPAC Name | 2-bromoethoxymethylbenzene |
| InChI Key | FWOHDAGPWDEWIB-UHFFFAOYSA-N |
| Molecular Formula | C9H11BrO |
2,3-Bis(2,6-diisopropylphenylimino)butane 98.0+%, TCI America™
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CAS: 74663-77-7 Molecular Formula: C28H40N2 Molecular Weight (g/mol): 404.642 MDL Number: MFCD01862435 InChI Key: YUFQUBWPYIPRHZ-UHFFFAOYSA-N Synonym: N,N′-Bis(2,6-diisopropylphenyl)butane-2,3-diimine PubChem CID: 608871 IUPAC Name: 2-N,3-N-bis[2,6-di(propan-2-yl)phenyl]butane-2,3-diimine SMILES: CC(C)C1=C(C(=CC=C1)C(C)C)N=C(C)C(=NC2=C(C=CC=C2C(C)C)C(C)C)C
| PubChem CID | 608871 |
|---|---|
| CAS | 74663-77-7 |
| Molecular Weight (g/mol) | 404.642 |
| MDL Number | MFCD01862435 |
| SMILES | CC(C)C1=C(C(=CC=C1)C(C)C)N=C(C)C(=NC2=C(C=CC=C2C(C)C)C(C)C)C |
| Synonym | N,N′-Bis(2,6-diisopropylphenyl)butane-2,3-diimine |
| IUPAC Name | 2-N,3-N-bis[2,6-di(propan-2-yl)phenyl]butane-2,3-diimine |
| InChI Key | YUFQUBWPYIPRHZ-UHFFFAOYSA-N |
| Molecular Formula | C28H40N2 |
4-Bromo-3,5-difluoroaniline 98.0+%, TCI America™
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CAS: 203302-95-8 Molecular Formula: C6H4BrF2N Molecular Weight (g/mol): 208.01 MDL Number: MFCD00236593 InChI Key: DKKUSFDAHRASGO-UHFFFAOYSA-N Synonym: benzenamine, 4-bromo-3,5-difluoro,3,5-difluoro-4-bromoaniline,4-bromo-3,5-difluoro-phenylamine,4-bromo-3,5-difluorobenzenamine,buttpark 35\03-50,4-bromo-3,5-difluorophenylamine,4-bromo-3,5-difluoro-benzenamine,pubchem2219,acmc-1chyw,ksc494o8p PubChem CID: 2736260 IUPAC Name: 4-bromo-3,5-difluoroaniline SMILES: NC1=CC(F)=C(Br)C(F)=C1
| PubChem CID | 2736260 |
|---|---|
| CAS | 203302-95-8 |
| Molecular Weight (g/mol) | 208.01 |
| MDL Number | MFCD00236593 |
| SMILES | NC1=CC(F)=C(Br)C(F)=C1 |
| Synonym | benzenamine, 4-bromo-3,5-difluoro,3,5-difluoro-4-bromoaniline,4-bromo-3,5-difluoro-phenylamine,4-bromo-3,5-difluorobenzenamine,buttpark 35\03-50,4-bromo-3,5-difluorophenylamine,4-bromo-3,5-difluoro-benzenamine,pubchem2219,acmc-1chyw,ksc494o8p |
| IUPAC Name | 4-bromo-3,5-difluoroaniline |
| InChI Key | DKKUSFDAHRASGO-UHFFFAOYSA-N |
| Molecular Formula | C6H4BrF2N |
Clofibrate 98.0+%, TCI America™
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CAS: 637-07-0 Molecular Formula: C12H15ClO3 Molecular Weight (g/mol): 242.70 MDL Number: MFCD00000615 InChI Key: KNHUKKLJHYUCFP-UHFFFAOYSA-N Synonym: clofibrate,ethyl clofibrate,clofibratum,clofibrato,atromid-s,miscleron,atromid,liprin,epib,angiokapsul PubChem CID: 2796 ChEBI: CHEBI:3750 IUPAC Name: ethyl 2-(4-chlorophenoxy)-2-methylpropanoate SMILES: CCOC(=O)C(C)(C)OC1=CC=C(Cl)C=C1
| PubChem CID | 2796 |
|---|---|
| CAS | 637-07-0 |
| Molecular Weight (g/mol) | 242.70 |
| ChEBI | CHEBI:3750 |
| MDL Number | MFCD00000615 |
| SMILES | CCOC(=O)C(C)(C)OC1=CC=C(Cl)C=C1 |
| Synonym | clofibrate,ethyl clofibrate,clofibratum,clofibrato,atromid-s,miscleron,atromid,liprin,epib,angiokapsul |
| IUPAC Name | ethyl 2-(4-chlorophenoxy)-2-methylpropanoate |
| InChI Key | KNHUKKLJHYUCFP-UHFFFAOYSA-N |
| Molecular Formula | C12H15ClO3 |