Benzenoids
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1-(4-Chlorobenzyl)piperazine 98.0+%, TCI America™
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CAS: 23145-88-2 Molecular Formula: C11H15ClN2 Molecular Weight (g/mol): 210.705 MDL Number: MFCD00040791 InChI Key: GSJXJZOWHSTWOX-UHFFFAOYSA-N Synonym: 1-4-chlorobenzyl piperazine,1-4-chlorophenyl methyl piperazine,4-chlorobenzylpiperazine,1-4-chlorobenzyl-piperazine,1-4-chloro-benzyl-piperazine,1-4-chloro benzyl piperazine,n-4-chlorobenzyl piperazine,4-chlorophenyl methyl piperazine,norhomochlorcyclizine,chlorobenzylpiperazin PubChem CID: 134826 IUPAC Name: 1-[(4-chlorophenyl)methyl]piperazine SMILES: C1CN(CCN1)CC2=CC=C(C=C2)Cl
| PubChem CID | 134826 |
|---|---|
| CAS | 23145-88-2 |
| Molecular Weight (g/mol) | 210.705 |
| MDL Number | MFCD00040791 |
| SMILES | C1CN(CCN1)CC2=CC=C(C=C2)Cl |
| Synonym | 1-4-chlorobenzyl piperazine,1-4-chlorophenyl methyl piperazine,4-chlorobenzylpiperazine,1-4-chlorobenzyl-piperazine,1-4-chloro-benzyl-piperazine,1-4-chloro benzyl piperazine,n-4-chlorobenzyl piperazine,4-chlorophenyl methyl piperazine,norhomochlorcyclizine,chlorobenzylpiperazin |
| IUPAC Name | 1-[(4-chlorophenyl)methyl]piperazine |
| InChI Key | GSJXJZOWHSTWOX-UHFFFAOYSA-N |
| Molecular Formula | C11H15ClN2 |
4-Chloro-2-fluorobenzaldehyde 98.0+%, TCI America™
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CAS: 61072-56-8 Molecular Formula: C7H4ClFO Molecular Weight (g/mol): 158.556 MDL Number: MFCD00143282 InChI Key: UVGYSEIWAOOIJR-UHFFFAOYSA-N Synonym: 2-fluoro-4-chlorobenzaldehyde,benzaldehyde, 4-chloro-2-fluoro,4-chloranyl-2-fluoranyl-benzaldehyde,pubchem1435,acmc-1b5ai,ksc494c2f,3-fluoro-4-formylchlorobenzene,4-chloro-2-fluoro-benzaldehyde,4-chloro-2-fluoro-benzoaldehyde,timtec-bb sbb003985 PubChem CID: 2724908 IUPAC Name: 4-chloro-2-fluorobenzaldehyde SMILES: C1=CC(=C(C=C1Cl)F)C=O
| PubChem CID | 2724908 |
|---|---|
| CAS | 61072-56-8 |
| Molecular Weight (g/mol) | 158.556 |
| MDL Number | MFCD00143282 |
| SMILES | C1=CC(=C(C=C1Cl)F)C=O |
| Synonym | 2-fluoro-4-chlorobenzaldehyde,benzaldehyde, 4-chloro-2-fluoro,4-chloranyl-2-fluoranyl-benzaldehyde,pubchem1435,acmc-1b5ai,ksc494c2f,3-fluoro-4-formylchlorobenzene,4-chloro-2-fluoro-benzaldehyde,4-chloro-2-fluoro-benzoaldehyde,timtec-bb sbb003985 |
| IUPAC Name | 4-chloro-2-fluorobenzaldehyde |
| InChI Key | UVGYSEIWAOOIJR-UHFFFAOYSA-N |
| Molecular Formula | C7H4ClFO |
3-Phenoxy-1-propanol 98.0+%, TCI America™
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CAS: 6180-61-6 Molecular Formula: C9H12O2 Molecular Weight (g/mol): 152.19 MDL Number: MFCD00039549 InChI Key: AWVDYRFLCAZENH-UHFFFAOYSA-N Synonym: 3-phenoxy-1-propanol,1-propanol, 3-phenoxy,3-phenoxy 1-propanol,unii-515pbp1u72,propoxylated phenol,ph 4p,polypropylene glycol phenyl ether,3-phenoxypropanol,3-phenyloxypropanol,polypropylene glycol monophenyl ether PubChem CID: 80319 IUPAC Name: 3-phenoxypropan-1-ol SMILES: OCCCOC1=CC=CC=C1
| PubChem CID | 80319 |
|---|---|
| CAS | 6180-61-6 |
| Molecular Weight (g/mol) | 152.19 |
| MDL Number | MFCD00039549 |
| SMILES | OCCCOC1=CC=CC=C1 |
| Synonym | 3-phenoxy-1-propanol,1-propanol, 3-phenoxy,3-phenoxy 1-propanol,unii-515pbp1u72,propoxylated phenol,ph 4p,polypropylene glycol phenyl ether,3-phenoxypropanol,3-phenyloxypropanol,polypropylene glycol monophenyl ether |
| IUPAC Name | 3-phenoxypropan-1-ol |
| InChI Key | AWVDYRFLCAZENH-UHFFFAOYSA-N |
| Molecular Formula | C9H12O2 |
Methyl 4-Chloro-2-methylphenoxyacetate 94.0+%, TCI America™
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CAS: 2436-73-9 Molecular Formula: C10H11ClO3 Molecular Weight (g/mol): 214.645 MDL Number: MFCD00055259 InChI Key: VWERIRLJUWTNDA-UHFFFAOYSA-N Synonym: mcpa methyl ester,mcpa-methyl,methyl 4-chloro-2-methylphenoxyacetate,methyl 2-4-chloro-2-methylphenoxy acetate,mcpa-methyl iso,acetic acid, 4-chloro-2-methylphenoxy-, methyl ester,unii-cm4042hz0o,methyl 4-chloro-2-methylphenoxy acetate,2-methyl-4-chlorophenoxyacetic acid methyl ester,4-chloro-2-methylphenoxy acetic acid methyl ester PubChem CID: 17089 IUPAC Name: methyl 2-(4-chloro-2-methylphenoxy)acetate SMILES: CC1=C(C=CC(=C1)Cl)OCC(=O)OC
| PubChem CID | 17089 |
|---|---|
| CAS | 2436-73-9 |
| Molecular Weight (g/mol) | 214.645 |
| MDL Number | MFCD00055259 |
| SMILES | CC1=C(C=CC(=C1)Cl)OCC(=O)OC |
| Synonym | mcpa methyl ester,mcpa-methyl,methyl 4-chloro-2-methylphenoxyacetate,methyl 2-4-chloro-2-methylphenoxy acetate,mcpa-methyl iso,acetic acid, 4-chloro-2-methylphenoxy-, methyl ester,unii-cm4042hz0o,methyl 4-chloro-2-methylphenoxy acetate,2-methyl-4-chlorophenoxyacetic acid methyl ester,4-chloro-2-methylphenoxy acetic acid methyl ester |
| IUPAC Name | methyl 2-(4-chloro-2-methylphenoxy)acetate |
| InChI Key | VWERIRLJUWTNDA-UHFFFAOYSA-N |
| Molecular Formula | C10H11ClO3 |
2,5-Diethoxyaniline 98.0+%, TCI America™
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CAS: 94-85-9 Molecular Formula: C10H15NO2 Molecular Weight (g/mol): 181.235 MDL Number: MFCD00015144 InChI Key: XPKFTIYOZUJAGA-UHFFFAOYSA-N Synonym: benzenamine, 2,5-diethoxy,aminohydroquinone diethyl ether,2,5-diethoxy aniline,aniline, 2,5-diethoxy,2,5-diethoxyphenyl amine,2,5-diethoxyphenylamine,2.5-diethoxyaniline,aniline,5-diethoxy,2,5-diathoxy-anilin,2,5-diethoxybenzenamine PubChem CID: 66756 IUPAC Name: 2,5-diethoxyaniline SMILES: CCOC1=CC(=C(C=C1)OCC)N
| PubChem CID | 66756 |
|---|---|
| CAS | 94-85-9 |
| Molecular Weight (g/mol) | 181.235 |
| MDL Number | MFCD00015144 |
| SMILES | CCOC1=CC(=C(C=C1)OCC)N |
| Synonym | benzenamine, 2,5-diethoxy,aminohydroquinone diethyl ether,2,5-diethoxy aniline,aniline, 2,5-diethoxy,2,5-diethoxyphenyl amine,2,5-diethoxyphenylamine,2.5-diethoxyaniline,aniline,5-diethoxy,2,5-diathoxy-anilin,2,5-diethoxybenzenamine |
| IUPAC Name | 2,5-diethoxyaniline |
| InChI Key | XPKFTIYOZUJAGA-UHFFFAOYSA-N |
| Molecular Formula | C10H15NO2 |
Amisulpride 98.0+%, TCI America™
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CAS: 71675-85-9 Molecular Formula: C17H27N3O4S Molecular Weight (g/mol): 369.48 MDL Number: MFCD00866691 InChI Key: NTJOBXMMWNYJFB-UHFFFAOYSA-N Synonym: amisulpride,aminosultopride,solian,amisulprida,amisulpridum,deniban,amisulpridum inn-latin,amisulprida inn-spanish,amisulpride inn,amisulpiride PubChem CID: 2159 ChEBI: CHEBI:64045 IUPAC Name: 4-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-5-ethylsulfonyl-2-methoxybenzamide SMILES: CCN1CCCC1CNC(=O)C2=CC(=C(C=C2OC)N)S(=O)(=O)CC
| PubChem CID | 2159 |
|---|---|
| CAS | 71675-85-9 |
| Molecular Weight (g/mol) | 369.48 |
| ChEBI | CHEBI:64045 |
| MDL Number | MFCD00866691 |
| SMILES | CCN1CCCC1CNC(=O)C2=CC(=C(C=C2OC)N)S(=O)(=O)CC |
| Synonym | amisulpride,aminosultopride,solian,amisulprida,amisulpridum,deniban,amisulpridum inn-latin,amisulprida inn-spanish,amisulpride inn,amisulpiride |
| IUPAC Name | 4-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-5-ethylsulfonyl-2-methoxybenzamide |
| InChI Key | NTJOBXMMWNYJFB-UHFFFAOYSA-N |
| Molecular Formula | C17H27N3O4S |
3,5-Diaminobenzoic Acid Dihydrochloride 98.0+%, TCI America™
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CAS: 618-56-4 Molecular Formula: C7H10Cl2N2O2 Molecular Weight (g/mol): 225.069 MDL Number: MFCD00012983 InChI Key: IGPLRBRBTUNCRT-UHFFFAOYSA-N Synonym: 3,5-diaminobenzoic acid dihydrochloride,benzoic acid, 3,5-diamino-dihydrochloride,benzoic acid, 3,5-diamino-, hydrochloride 1:2,acmc-1b2s7,3,5-diaminobenzoicaciddihydrochloride,3,5-diamino benzoic acid dihydrochloride PubChem CID: 15556789 IUPAC Name: 3,5-diaminobenzoic acid;dihydrochloride SMILES: C1=C(C=C(C=C1N)N)C(=O)O.Cl.Cl
| PubChem CID | 15556789 |
|---|---|
| CAS | 618-56-4 |
| Molecular Weight (g/mol) | 225.069 |
| MDL Number | MFCD00012983 |
| SMILES | C1=C(C=C(C=C1N)N)C(=O)O.Cl.Cl |
| Synonym | 3,5-diaminobenzoic acid dihydrochloride,benzoic acid, 3,5-diamino-dihydrochloride,benzoic acid, 3,5-diamino-, hydrochloride 1:2,acmc-1b2s7,3,5-diaminobenzoicaciddihydrochloride,3,5-diamino benzoic acid dihydrochloride |
| IUPAC Name | 3,5-diaminobenzoic acid;dihydrochloride |
| InChI Key | IGPLRBRBTUNCRT-UHFFFAOYSA-N |
| Molecular Formula | C7H10Cl2N2O2 |
2-Amino-4-methylbenzoic Acid 98.0+%, TCI America™
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CAS: 2305-36-4 Molecular Formula: C8H9NO2 Molecular Weight (g/mol): 151.165 MDL Number: MFCD00047853 InChI Key: RPGKFFKUTVJVPY-UHFFFAOYSA-N Synonym: 4-methylanthranilic acid,benzoic acid, 2-amino-4-methyl,2-amino-4-methyl-benzoic acid,2-amino-p-toluic acid,3-amino-4-carboxytoluene,2-carboxy-5-methylaniline,p-toluic acid, 2-amino,rarechem al bo 0820,benzoic acid, 2-amino-4-methyl-9ci,2-azanyl-4-methyl-benzoic acid PubChem CID: 75316 IUPAC Name: 2-amino-4-methylbenzoic acid SMILES: CC1=CC(=C(C=C1)C(=O)O)N
| PubChem CID | 75316 |
|---|---|
| CAS | 2305-36-4 |
| Molecular Weight (g/mol) | 151.165 |
| MDL Number | MFCD00047853 |
| SMILES | CC1=CC(=C(C=C1)C(=O)O)N |
| Synonym | 4-methylanthranilic acid,benzoic acid, 2-amino-4-methyl,2-amino-4-methyl-benzoic acid,2-amino-p-toluic acid,3-amino-4-carboxytoluene,2-carboxy-5-methylaniline,p-toluic acid, 2-amino,rarechem al bo 0820,benzoic acid, 2-amino-4-methyl-9ci,2-azanyl-4-methyl-benzoic acid |
| IUPAC Name | 2-amino-4-methylbenzoic acid |
| InChI Key | RPGKFFKUTVJVPY-UHFFFAOYSA-N |
| Molecular Formula | C8H9NO2 |
4-(4-Methylpiperazinyl)benzoic Acid 98.0+%, TCI America™
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CAS: 86620-62-4 Molecular Formula: C12H16N2O2 Molecular Weight (g/mol): 220.272 MDL Number: MFCD02682063 InChI Key: UCFZVQHKTRSZMM-UHFFFAOYSA-N Synonym: 4-4-methylpiperazin-1-yl benzoic acid,4-4-methylpiperazino benzoic acid,4-4-methyl-piperazin-1-yl-benzoic acid,4-4-methylpiperazinyl benzoic acid,4-4-methyl-piperazino benzoic acid,benzoic acid, 4-4-methyl-1-piperazinyl,4-4-methyl-1-piperazinyl benzoic acid,pubchem10481,ksc448o3p PubChem CID: 736532 IUPAC Name: 4-(4-methylpiperazin-1-yl)benzoic acid SMILES: CN1CCN(CC1)C2=CC=C(C=C2)C(=O)O
| PubChem CID | 736532 |
|---|---|
| CAS | 86620-62-4 |
| Molecular Weight (g/mol) | 220.272 |
| MDL Number | MFCD02682063 |
| SMILES | CN1CCN(CC1)C2=CC=C(C=C2)C(=O)O |
| Synonym | 4-4-methylpiperazin-1-yl benzoic acid,4-4-methylpiperazino benzoic acid,4-4-methyl-piperazin-1-yl-benzoic acid,4-4-methylpiperazinyl benzoic acid,4-4-methyl-piperazino benzoic acid,benzoic acid, 4-4-methyl-1-piperazinyl,4-4-methyl-1-piperazinyl benzoic acid,pubchem10481,ksc448o3p |
| IUPAC Name | 4-(4-methylpiperazin-1-yl)benzoic acid |
| InChI Key | UCFZVQHKTRSZMM-UHFFFAOYSA-N |
| Molecular Formula | C12H16N2O2 |
3-Amino-4-methylbenzoic Acid 98.0+%, TCI America™
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CAS: 2458-12-0 Molecular Formula: C8H9NO2 Molecular Weight (g/mol): 151.165 MDL Number: MFCD00007742 InChI Key: XKFIFYROMAAUDL-UHFFFAOYSA-N Synonym: 3-amino-p-toluic acid,3-amino-4-methyl-benzoic acid,benzoic acid, 3-amino-4-methyl,3-amino-4-methylbenzoicacid,benzoic acid, 3-amino-4-methyl-9ci,pubchem8194,3-amino-4-toluic acid,rarechem al bo 1039,h-3 atl 4-oh,h-3 abz 4-me-oh PubChem CID: 75568 IUPAC Name: 3-amino-4-methylbenzoic acid SMILES: CC1=C(C=C(C=C1)C(=O)O)N
| PubChem CID | 75568 |
|---|---|
| CAS | 2458-12-0 |
| Molecular Weight (g/mol) | 151.165 |
| MDL Number | MFCD00007742 |
| SMILES | CC1=C(C=C(C=C1)C(=O)O)N |
| Synonym | 3-amino-p-toluic acid,3-amino-4-methyl-benzoic acid,benzoic acid, 3-amino-4-methyl,3-amino-4-methylbenzoicacid,benzoic acid, 3-amino-4-methyl-9ci,pubchem8194,3-amino-4-toluic acid,rarechem al bo 1039,h-3 atl 4-oh,h-3 abz 4-me-oh |
| IUPAC Name | 3-amino-4-methylbenzoic acid |
| InChI Key | XKFIFYROMAAUDL-UHFFFAOYSA-N |
| Molecular Formula | C8H9NO2 |
5-Amino-N,N'-bis(2,3-dihydroxypropyl)isophthalamide Hydrochloride 98.0+%, TCI America™
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4-Dimethylaminobenzoic Acid 98.0+%, TCI America™
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CAS: 619-84-1 Molecular Formula: C9H11NO2 Molecular Weight (g/mol): 165.192 MDL Number: MFCD00002537 InChI Key: YDIYEOMDOWUDTJ-UHFFFAOYSA-N Synonym: 4-dimethylamino benzoic acid,benzoic acid, 4-dimethylamino,benzoic acid, p-dimethylamino,p-dimethylaminobenzoic acid,n,n-dimethyl-p-aminobenzoic acid,n,n-dimethyl-4-aminobenzoic acid,p-n,n-dimethylamino benzoic acid,p-dimethylamino benzoic acid,unii-d1ma908ev0,4-n,n-dimethylamino benzoic acid PubChem CID: 12092 IUPAC Name: 4-(dimethylamino)benzoic acid SMILES: CN(C)C1=CC=C(C=C1)C(=O)O
| PubChem CID | 12092 |
|---|---|
| CAS | 619-84-1 |
| Molecular Weight (g/mol) | 165.192 |
| MDL Number | MFCD00002537 |
| SMILES | CN(C)C1=CC=C(C=C1)C(=O)O |
| Synonym | 4-dimethylamino benzoic acid,benzoic acid, 4-dimethylamino,benzoic acid, p-dimethylamino,p-dimethylaminobenzoic acid,n,n-dimethyl-p-aminobenzoic acid,n,n-dimethyl-4-aminobenzoic acid,p-n,n-dimethylamino benzoic acid,p-dimethylamino benzoic acid,unii-d1ma908ev0,4-n,n-dimethylamino benzoic acid |
| IUPAC Name | 4-(dimethylamino)benzoic acid |
| InChI Key | YDIYEOMDOWUDTJ-UHFFFAOYSA-N |
| Molecular Formula | C9H11NO2 |
N-Ethyl-o-toluidine 98.0+%, TCI America™
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CAS: 94-68-8 Molecular Formula: C9H13N Molecular Weight (g/mol): 135.21 MDL Number: MFCD00026695 InChI Key: MWOUGPLLVVEUMM-UHFFFAOYSA-N Synonym: n-ethyl-o-toluidine,2-ethylamino toluene,2-ethylaminotoluene,benzenamine, n-ethyl-2-methyl,o-methyl-n-ethylaniline,1-ethylamino-2-methylbenzene,n-ethyl-2-methyl-aniline,n-ethyl-2-aminotoluene,o-toluidine, n-ethyl,n-ethyl-2-toluidine PubChem CID: 7201 IUPAC Name: N-ethyl-2-methylaniline SMILES: CCNC1=CC=CC=C1C
| PubChem CID | 7201 |
|---|---|
| CAS | 94-68-8 |
| Molecular Weight (g/mol) | 135.21 |
| MDL Number | MFCD00026695 |
| SMILES | CCNC1=CC=CC=C1C |
| Synonym | n-ethyl-o-toluidine,2-ethylamino toluene,2-ethylaminotoluene,benzenamine, n-ethyl-2-methyl,o-methyl-n-ethylaniline,1-ethylamino-2-methylbenzene,n-ethyl-2-methyl-aniline,n-ethyl-2-aminotoluene,o-toluidine, n-ethyl,n-ethyl-2-toluidine |
| IUPAC Name | N-ethyl-2-methylaniline |
| InChI Key | MWOUGPLLVVEUMM-UHFFFAOYSA-N |
| Molecular Formula | C9H13N |
Carbonylbis(triphenylphosphine)rhodium(I) Chloride, TCI America™
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CAS: 13938-94-8 Molecular Formula: C37H30ClOP2Rh Molecular Weight (g/mol): 690.95 MDL Number: MFCD00044273 InChI Key: NGAGFUUIULZUPO-UHFFFAOYSA-M Synonym: Bis(triphenylphosphine)carbonylrhodium(I) Chloride, Carbonylchlorobis(triphenylphosphine)rhodium(I) PubChem CID: 131667324 IUPAC Name: chlororhodiumylium; methanidylidyneoxidanium; bis(triphenylphosphane) SMILES: Cl[Rh+].[C-]#[O+].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
| PubChem CID | 131667324 |
|---|---|
| CAS | 13938-94-8 |
| Molecular Weight (g/mol) | 690.95 |
| MDL Number | MFCD00044273 |
| SMILES | Cl[Rh+].[C-]#[O+].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)carbonylrhodium(I) Chloride, Carbonylchlorobis(triphenylphosphine)rhodium(I) |
| IUPAC Name | chlororhodiumylium; methanidylidyneoxidanium; bis(triphenylphosphane) |
| InChI Key | NGAGFUUIULZUPO-UHFFFAOYSA-M |
| Molecular Formula | C37H30ClOP2Rh |
2-Benzyloxybenzoic Acid 98.0+%, TCI America™
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CAS: 14389-86-7 Molecular Formula: C14H11O3 Molecular Weight (g/mol): 227.24 MDL Number: MFCD00051940 InChI Key: GMOYUTKNPLBTMT-UHFFFAOYSA-M Synonym: 2-benzyloxy benzoic acid,2-benzyloxybenzoic acid,benzoic acid,2-phenylmethoxy,2-phenylmethoxy benzoic acid,benzoic acid, 2-phenylmethoxy,enamine_005339,benzyloxybenzoic acid,acmc-20ao3m,2-benzyloxy-benzoic acid,2-benzyloxybenzoicacid PubChem CID: 1810581 IUPAC Name: 2-(benzyloxy)benzoate SMILES: [O-]C(=O)C1=CC=CC=C1OCC1=CC=CC=C1
| 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 |
| Synonym | 2-benzyloxy benzoic acid,2-benzyloxybenzoic acid,benzoic acid,2-phenylmethoxy,2-phenylmethoxy benzoic acid,benzoic acid, 2-phenylmethoxy,enamine_005339,benzyloxybenzoic acid,acmc-20ao3m,2-benzyloxy-benzoic acid,2-benzyloxybenzoicacid |
| IUPAC Name | 2-(benzyloxy)benzoate |
| InChI Key | GMOYUTKNPLBTMT-UHFFFAOYSA-M |
| Molecular Formula | C14H11O3 |