
Phenols











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3,4-Dihydroxycinnamic acid, 99+%, predominantly trans isomer
CAS: 331-39-5 Molecular Formula: C9H8O4 Molecular Weight (g/mol): 180.16 InChI Key: QAIPRVGONGVQAS-DUXPYHPUSA-N Synonym: caffeic acid,3,4-dihydroxycinnamic acid,3-3,4-dihydroxyphenyl acrylic acid,trans-caffeate,3,4-dihydroxy-trans-cinnamate,2e-3-3,4-dihydroxyphenyl prop-2-enoic acid,3,4-dihydroxybenzeneacrylic acid,e-3-3,4-dihydroxyphenyl acrylic acid,trans-caffeic acid,3-3,4-dihydroxyphenyl propenoic acid PubChem CID: 689043 ChEBI: CHEBI:16433 IUPAC Name: (E)-3-(3,4-dihydroxyphenyl)prop-2-enoic acid SMILES: C1=CC(=C(C=C1C=CC(=O)O)O)O
PubChem CID | 689043 |
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CAS | 331-39-5 |
Molecular Weight (g/mol) | 180.16 |
ChEBI | CHEBI:16433 |
SMILES | C1=CC(=C(C=C1C=CC(=O)O)O)O |
Synonym | caffeic acid,3,4-dihydroxycinnamic acid,3-3,4-dihydroxyphenyl acrylic acid,trans-caffeate,3,4-dihydroxy-trans-cinnamate,2e-3-3,4-dihydroxyphenyl prop-2-enoic acid,3,4-dihydroxybenzeneacrylic acid,e-3-3,4-dihydroxyphenyl acrylic acid,trans-caffeic acid,3-3,4-dihydroxyphenyl propenoic acid |
IUPAC Name | (E)-3-(3,4-dihydroxyphenyl)prop-2-enoic acid |
InChI Key | QAIPRVGONGVQAS-DUXPYHPUSA-N |
Molecular Formula | C9H8O4 |
2,6-Dimethylphenol, 99%
CAS: 576-26-1 Molecular Formula: C8H10O Molecular Weight (g/mol): 122.17 MDL Number: MFCD00002240 InChI Key: NXXYKOUNUYWIHA-UHFFFAOYSA-N Synonym: 2,6-xylenol,phenol, 2,6-dimethyl,2,6-dimethyl phenol,2-hydroxy-m-xylene,1-hydroxy-2,6-dimethylbenzene,vic-m-xylenol,2,6-dmp,2,6-dimethyl-phenol,xylenol 235,2-hydroxy-1,3-dimethylbenzene PubChem CID: 11335 IUPAC Name: 2,6-dimethylphenol SMILES: CC1=CC=CC(C)=C1O
PubChem CID | 11335 |
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CAS | 576-26-1 |
Molecular Weight (g/mol) | 122.17 |
MDL Number | MFCD00002240 |
SMILES | CC1=CC=CC(C)=C1O |
Synonym | 2,6-xylenol,phenol, 2,6-dimethyl,2,6-dimethyl phenol,2-hydroxy-m-xylene,1-hydroxy-2,6-dimethylbenzene,vic-m-xylenol,2,6-dmp,2,6-dimethyl-phenol,xylenol 235,2-hydroxy-1,3-dimethylbenzene |
IUPAC Name | 2,6-dimethylphenol |
InChI Key | NXXYKOUNUYWIHA-UHFFFAOYSA-N |
Molecular Formula | C8H10O |
4-Ethylresorcinol, 98%
CAS: 2896-60-8 Molecular Formula: C8H10O2 Molecular Weight (g/mol): 138.17 MDL Number: MFCD00002283 InChI Key: VGMJYYDKPUPTID-UHFFFAOYSA-N Synonym: 4-ethylresorcinol,1,3-benzenediol, 4-ethyl,6-ethylresorcinol,resorcinol, 4-ethyl,1,3-dihydroxy-4-ethylbenzene,4-ethyl resorcinol,2,4-dihydroxy-1-ethylbenzene,unii-8ye81t06d5,4-ethyl-benzene-1,3-diol,4-ethyl-resorcinol PubChem CID: 17927 IUPAC Name: 4-ethylbenzene-1,3-diol SMILES: CCC1=C(C=C(C=C1)O)O
PubChem CID | 17927 |
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CAS | 2896-60-8 |
Molecular Weight (g/mol) | 138.17 |
MDL Number | MFCD00002283 |
SMILES | CCC1=C(C=C(C=C1)O)O |
Synonym | 4-ethylresorcinol,1,3-benzenediol, 4-ethyl,6-ethylresorcinol,resorcinol, 4-ethyl,1,3-dihydroxy-4-ethylbenzene,4-ethyl resorcinol,2,4-dihydroxy-1-ethylbenzene,unii-8ye81t06d5,4-ethyl-benzene-1,3-diol,4-ethyl-resorcinol |
IUPAC Name | 4-ethylbenzene-1,3-diol |
InChI Key | VGMJYYDKPUPTID-UHFFFAOYSA-N |
Molecular Formula | C8H10O2 |
3-Methyl-4-nitrophenol, 98%
CAS: 2581-34-2 Molecular Formula: C7H7NO3 Molecular Weight (g/mol): 153.14 MDL Number: MFCD00007333 InChI Key: PIIZYNQECPTVEO-UHFFFAOYSA-N Synonym: 4-nitro-m-cresol,4-nitro-3-cresol,4-nitro-3-methylphenol,2-nitro-5-hydroxytoluene,5-hydroxy-2-nitrotoluene,phenol, 3-methyl-4-nitro,4-nitro-5-methylphenol,m-cresol, 4-nitro,p-nitro-m-cresol,4-nitro-1-hydroxy-3-methylbenzene PubChem CID: 17412 ChEBI: CHEBI:38683 IUPAC Name: 3-methyl-4-nitrophenol SMILES: CC1=CC(O)=CC=C1[N+]([O-])=O
PubChem CID | 17412 |
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CAS | 2581-34-2 |
Molecular Weight (g/mol) | 153.14 |
ChEBI | CHEBI:38683 |
MDL Number | MFCD00007333 |
SMILES | CC1=CC(O)=CC=C1[N+]([O-])=O |
Synonym | 4-nitro-m-cresol,4-nitro-3-cresol,4-nitro-3-methylphenol,2-nitro-5-hydroxytoluene,5-hydroxy-2-nitrotoluene,phenol, 3-methyl-4-nitro,4-nitro-5-methylphenol,m-cresol, 4-nitro,p-nitro-m-cresol,4-nitro-1-hydroxy-3-methylbenzene |
IUPAC Name | 3-methyl-4-nitrophenol |
InChI Key | PIIZYNQECPTVEO-UHFFFAOYSA-N |
Molecular Formula | C7H7NO3 |
4-Chloro-2-methylphenol, 97%
CAS: 1570-64-5 Molecular Formula: C7H7ClO Molecular Weight (g/mol): 142.582 MDL Number: MFCD00002321 InChI Key: RHPUJHQBPORFGV-UHFFFAOYSA-N Synonym: 4-chloro-o-cresol,2-methyl-4-chlorophenol,4-chloro-2-cresol,p-chloro-o-cresol,phenol, 4-chloro-2-methyl,o-cresol, 4-chloro,4-chloro-2-methyl phenol,4-chloro-2-methyl-phenol,5-chloro-2-hydroxytoluene,unii-297v63w9ri PubChem CID: 14855 ChEBI: CHEBI:1800 IUPAC Name: 4-chloro-2-methylphenol SMILES: CC1=C(C=CC(=C1)Cl)O
PubChem CID | 14855 |
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CAS | 1570-64-5 |
Molecular Weight (g/mol) | 142.582 |
ChEBI | CHEBI:1800 |
MDL Number | MFCD00002321 |
SMILES | CC1=C(C=CC(=C1)Cl)O |
Synonym | 4-chloro-o-cresol,2-methyl-4-chlorophenol,4-chloro-2-cresol,p-chloro-o-cresol,phenol, 4-chloro-2-methyl,o-cresol, 4-chloro,4-chloro-2-methyl phenol,4-chloro-2-methyl-phenol,5-chloro-2-hydroxytoluene,unii-297v63w9ri |
IUPAC Name | 4-chloro-2-methylphenol |
InChI Key | RHPUJHQBPORFGV-UHFFFAOYSA-N |
Molecular Formula | C7H7ClO |
Ethyl 4-hydroxymandelate, 98%
CAS: 68758-68-9 Molecular Formula: C10H12O4 Molecular Weight (g/mol): 196.20 MDL Number: MFCD00020180 InChI Key: VLOUFSKXRCPIQR-UHFFFAOYNA-N Synonym: ethyl 2-hydroxy-2-4-hydroxyphenyl acetate,ethyl 4-hydroxymandelate,ethyl 4-hydroxy-dl-mandelate,ethyl alpha,4-dihydroxyphenylacetate,4-hydroxymandelic acid ethyl ester,benzeneacetic acid, .alpha.,4-dihydroxy-, ethyl ester,benzeneacetic acid, alpha,4-dihydroxy-, ethyl ester,ethyl hydroxy 4-hydroxyphenyl acetate,ethyl hydroxy 4-hydroxyphenyl acetate #,4-2-ethoxy-1-hydroxy-2-oxoethyl phenol PubChem CID: 111357 IUPAC Name: ethyl 2-hydroxy-2-(4-hydroxyphenyl)acetate SMILES: CCOC(=O)C(O)C1=CC=C(O)C=C1
PubChem CID | 111357 |
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CAS | 68758-68-9 |
Molecular Weight (g/mol) | 196.20 |
MDL Number | MFCD00020180 |
SMILES | CCOC(=O)C(O)C1=CC=C(O)C=C1 |
Synonym | ethyl 2-hydroxy-2-4-hydroxyphenyl acetate,ethyl 4-hydroxymandelate,ethyl 4-hydroxy-dl-mandelate,ethyl alpha,4-dihydroxyphenylacetate,4-hydroxymandelic acid ethyl ester,benzeneacetic acid, .alpha.,4-dihydroxy-, ethyl ester,benzeneacetic acid, alpha,4-dihydroxy-, ethyl ester,ethyl hydroxy 4-hydroxyphenyl acetate,ethyl hydroxy 4-hydroxyphenyl acetate #,4-2-ethoxy-1-hydroxy-2-oxoethyl phenol |
IUPAC Name | ethyl 2-hydroxy-2-(4-hydroxyphenyl)acetate |
InChI Key | VLOUFSKXRCPIQR-UHFFFAOYNA-N |
Molecular Formula | C10H12O4 |
Pentafluorophenol, 99+%
CAS: 771-61-9 Molecular Formula: C6HF5O Molecular Weight (g/mol): 184.07 MDL Number: MFCD00002156 InChI Key: XBNGYFFABRKICK-UHFFFAOYSA-N Synonym: pentafluorophenol,phenol, pentafluoro,perfluorophenol,unii-a2ycf0yuha,a2ycf0yuha,2,3,4,5,6-pentafluorohydroxybenzene,c6f5oh,2,3,4,5,6-pentafluoro-phenol,phenol, 2,3,4,5,6-pentafluoro,hopfp PubChem CID: 13041 IUPAC Name: 2,3,4,5,6-pentafluorophenol SMILES: OC1=C(F)C(F)=C(F)C(F)=C1F
PubChem CID | 13041 |
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CAS | 771-61-9 |
Molecular Weight (g/mol) | 184.07 |
MDL Number | MFCD00002156 |
SMILES | OC1=C(F)C(F)=C(F)C(F)=C1F |
Synonym | pentafluorophenol,phenol, pentafluoro,perfluorophenol,unii-a2ycf0yuha,a2ycf0yuha,2,3,4,5,6-pentafluorohydroxybenzene,c6f5oh,2,3,4,5,6-pentafluoro-phenol,phenol, 2,3,4,5,6-pentafluoro,hopfp |
IUPAC Name | 2,3,4,5,6-pentafluorophenol |
InChI Key | XBNGYFFABRKICK-UHFFFAOYSA-N |
Molecular Formula | C6HF5O |
3,5-Dihydroxytoluene, 99%
CAS: 504-15-4 Molecular Formula: C7H8O2 Molecular Weight (g/mol): 124.14 MDL Number: MFCD00002291 InChI Key: OIPPWFOQEKKFEE-UHFFFAOYSA-N Synonym: orcinol,3,5-dihydroxytoluene,5-methylresorcinol,1,3-dihydroxy-5-methylbenzene,orcin,5-methyl-1,3-benzenediol,5-methylresorcin,3-hydroxy-5-methylphenol,3,5-toluenediol,1,3-benzenediol, 5-methyl PubChem CID: 10436 ChEBI: CHEBI:16536 IUPAC Name: 5-methylbenzene-1,3-diol SMILES: CC1=CC(O)=CC(O)=C1
PubChem CID | 10436 |
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CAS | 504-15-4 |
Molecular Weight (g/mol) | 124.14 |
ChEBI | CHEBI:16536 |
MDL Number | MFCD00002291 |
SMILES | CC1=CC(O)=CC(O)=C1 |
Synonym | orcinol,3,5-dihydroxytoluene,5-methylresorcinol,1,3-dihydroxy-5-methylbenzene,orcin,5-methyl-1,3-benzenediol,5-methylresorcin,3-hydroxy-5-methylphenol,3,5-toluenediol,1,3-benzenediol, 5-methyl |
IUPAC Name | 5-methylbenzene-1,3-diol |
InChI Key | OIPPWFOQEKKFEE-UHFFFAOYSA-N |
Molecular Formula | C7H8O2 |
3-(1-Piperazinyl)phenol, 97%
CAS: 59817-32-2 Molecular Formula: C10H14N2O Molecular Weight (g/mol): 178.24 MDL Number: MFCD00052896 InChI Key: AYGYICRITMSJOC-UHFFFAOYSA-N Synonym: 3-piperazin-1-yl phenol,1-3-hydroxyphenyl piperazine,3-1-piperazinyl phenol,n-3-hydroxyphenyl piperazine,3-piperazin-1-yl-phenol,1-3-hydroxyphenyl-piperazine,phenol, 3-1-piperazinyl,3-piperazinylphenol,3-hydroxyphenylpiperazine PubChem CID: 2736597 SMILES: OC1=CC=CC(=C1)N1CCNCC1
PubChem CID | 2736597 |
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CAS | 59817-32-2 |
Molecular Weight (g/mol) | 178.24 |
MDL Number | MFCD00052896 |
SMILES | OC1=CC=CC(=C1)N1CCNCC1 |
Synonym | 3-piperazin-1-yl phenol,1-3-hydroxyphenyl piperazine,3-1-piperazinyl phenol,n-3-hydroxyphenyl piperazine,3-piperazin-1-yl-phenol,1-3-hydroxyphenyl-piperazine,phenol, 3-1-piperazinyl,3-piperazinylphenol,3-hydroxyphenylpiperazine |
InChI Key | AYGYICRITMSJOC-UHFFFAOYSA-N |
Molecular Formula | C10H14N2O |
2-Hydroxybenzeneboronic acid, 97%
CAS: 89466-08-0 Molecular Formula: C6H7BO3 Molecular Weight (g/mol): 137.93 MDL Number: MFCD01074581 InChI Key: YDMRDHQUQIVWBE-UHFFFAOYSA-N Synonym: 2-hydroxyphenyl boronic acid,2-hydroxybenzeneboronic acid,o-hydroxyphenylboronic acid,2-boronophenol,2-hydroxyphenyl boranediol,2-hydroxyphenylboronicacid,boronic acid, 2-hydroxyphenyl,pubchem9522,2-hydroxyphenylboronic,acmc-209r1d PubChem CID: 2773454 IUPAC Name: (2-hydroxyphenyl)boronic acid SMILES: OB(O)C1=CC=CC=C1O
PubChem CID | 2773454 |
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CAS | 89466-08-0 |
Molecular Weight (g/mol) | 137.93 |
MDL Number | MFCD01074581 |
SMILES | OB(O)C1=CC=CC=C1O |
Synonym | 2-hydroxyphenyl boronic acid,2-hydroxybenzeneboronic acid,o-hydroxyphenylboronic acid,2-boronophenol,2-hydroxyphenyl boranediol,2-hydroxyphenylboronicacid,boronic acid, 2-hydroxyphenyl,pubchem9522,2-hydroxyphenylboronic,acmc-209r1d |
IUPAC Name | (2-hydroxyphenyl)boronic acid |
InChI Key | YDMRDHQUQIVWBE-UHFFFAOYSA-N |
Molecular Formula | C6H7BO3 |
3-Fluoro-4-hydroxybenzeneboronic acid, 97%
CAS: 182344-14-5 Molecular Formula: C6H6BFO3 Molecular Weight (g/mol): 155.919 MDL Number: MFCD06659838 InChI Key: OYNDLOJPYURCJG-UHFFFAOYSA-N Synonym: 3-fluoro-4-hydroxyphenyl boronic acid,4-borono-2-fluorophenol,boronic acid, 3-fluoro-4-hydroxyphenyl,3-fluoro-4-hydroxybenzeneboronic acid,pubchem18807,acmc-1c2s7,3-fluoro-4-hydroxy-phenylboronic acid,4-hydroxy-3-fluorophenyl boronic acid,3-fluoro-4-hydroxyphenyl-boronic acid PubChem CID: 23005361 IUPAC Name: (3-fluoro-4-hydroxyphenyl)boronic acid SMILES: B(C1=CC(=C(C=C1)O)F)(O)O
PubChem CID | 23005361 |
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CAS | 182344-14-5 |
Molecular Weight (g/mol) | 155.919 |
MDL Number | MFCD06659838 |
SMILES | B(C1=CC(=C(C=C1)O)F)(O)O |
Synonym | 3-fluoro-4-hydroxyphenyl boronic acid,4-borono-2-fluorophenol,boronic acid, 3-fluoro-4-hydroxyphenyl,3-fluoro-4-hydroxybenzeneboronic acid,pubchem18807,acmc-1c2s7,3-fluoro-4-hydroxy-phenylboronic acid,4-hydroxy-3-fluorophenyl boronic acid,3-fluoro-4-hydroxyphenyl-boronic acid |
IUPAC Name | (3-fluoro-4-hydroxyphenyl)boronic acid |
InChI Key | OYNDLOJPYURCJG-UHFFFAOYSA-N |
Molecular Formula | C6H6BFO3 |
2-Amino-5-hydroxybenzoic acid, 98%
CAS: 394-31-0 Molecular Formula: C7H7NO3 Molecular Weight (g/mol): 153.137 MDL Number: MFCD00007870 InChI Key: HYNQTSZBTIOFKH-UHFFFAOYSA-N Synonym: 5-hydroxyanthranilic acid,diabeton,benzoic acid, 2-amino-5-hydroxy,2-amino-5-hydroxy benzoic acid,unii-uf9ww3i410,2-amino-5-hydroxy-benzoic acid,5-hydroxyanthranillicacid,pubchem15307,4-amino-3-carboxyphenol,5-hydroxyanthranillic acid PubChem CID: 164592 IUPAC Name: 2-amino-5-hydroxybenzoic acid SMILES: C1=CC(=C(C=C1O)C(=O)O)N
PubChem CID | 164592 |
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CAS | 394-31-0 |
Molecular Weight (g/mol) | 153.137 |
MDL Number | MFCD00007870 |
SMILES | C1=CC(=C(C=C1O)C(=O)O)N |
Synonym | 5-hydroxyanthranilic acid,diabeton,benzoic acid, 2-amino-5-hydroxy,2-amino-5-hydroxy benzoic acid,unii-uf9ww3i410,2-amino-5-hydroxy-benzoic acid,5-hydroxyanthranillicacid,pubchem15307,4-amino-3-carboxyphenol,5-hydroxyanthranillic acid |
IUPAC Name | 2-amino-5-hydroxybenzoic acid |
InChI Key | HYNQTSZBTIOFKH-UHFFFAOYSA-N |
Molecular Formula | C7H7NO3 |
3,5-Dihydroxybenzhydrazide, 98%
CAS: 7732-32-3 Molecular Formula: C7H8N2O3 Molecular Weight (g/mol): 168.15 MDL Number: MFCD00017066 InChI Key: WGXWEXNJRZMIPT-UHFFFAOYSA-N Synonym: 3,5-dihydroxybenzhydrazide,3,5-dihydroxy-benzhydrazide,5-???benzene-1,3-diol,#,3,5-dihydroxybenzoic hydrazide,3,5-bis oxidanyl benzohydrazide,benzoic acid,3,5-dihydroxy-, hydrazide,3,5-dihydroxy-benzoic acid hydrazide PubChem CID: 586309 IUPAC Name: 3,5-dihydroxybenzohydrazide SMILES: NNC(=O)C1=CC=C(O)C(O)=C1
PubChem CID | 586309 |
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CAS | 7732-32-3 |
Molecular Weight (g/mol) | 168.15 |
MDL Number | MFCD00017066 |
SMILES | NNC(=O)C1=CC=C(O)C(O)=C1 |
Synonym | 3,5-dihydroxybenzhydrazide,3,5-dihydroxy-benzhydrazide,5-???benzene-1,3-diol,#,3,5-dihydroxybenzoic hydrazide,3,5-bis oxidanyl benzohydrazide,benzoic acid,3,5-dihydroxy-, hydrazide,3,5-dihydroxy-benzoic acid hydrazide |
IUPAC Name | 3,5-dihydroxybenzohydrazide |
InChI Key | WGXWEXNJRZMIPT-UHFFFAOYSA-N |
Molecular Formula | C7H8N2O3 |
Methyl caffeate
CAS: 3843-74-1 Molecular Formula: C10H10O4 Molecular Weight (g/mol): 194.186 MDL Number: MFCD00210468 InChI Key: OCNYGKNIVPVPPX-HWKANZROSA-N Synonym: methyl caffeate,methyl 3-3,4-dihydroxyphenyl acrylate,caffeic acid methyl ester,e-methyl 3-3,4-dihydroxyphenyl acrylate,methylcaffeate,methyl 3,4-dihydroxycinnamate,caffeic acid, methyl ester,unii-n79173b9hf,methyl 2e-3-3,4-dihydroxyphenyl prop-2-enoate,chembl17001 PubChem CID: 689075 ChEBI: CHEBI:6856 IUPAC Name: methyl (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate SMILES: COC(=O)C=CC1=CC(=C(C=C1)O)O
PubChem CID | 689075 |
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CAS | 3843-74-1 |
Molecular Weight (g/mol) | 194.186 |
ChEBI | CHEBI:6856 |
MDL Number | MFCD00210468 |
SMILES | COC(=O)C=CC1=CC(=C(C=C1)O)O |
Synonym | methyl caffeate,methyl 3-3,4-dihydroxyphenyl acrylate,caffeic acid methyl ester,e-methyl 3-3,4-dihydroxyphenyl acrylate,methylcaffeate,methyl 3,4-dihydroxycinnamate,caffeic acid, methyl ester,unii-n79173b9hf,methyl 2e-3-3,4-dihydroxyphenyl prop-2-enoate,chembl17001 |
IUPAC Name | methyl (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate |
InChI Key | OCNYGKNIVPVPPX-HWKANZROSA-N |
Molecular Formula | C10H10O4 |
2,4-Dichloro-6-methylphenol, 98%
CAS: 1570-65-6 Molecular Formula: C7H6Cl2O Molecular Weight (g/mol): 177.024 MDL Number: MFCD00019988 InChI Key: WJQZZLQMLJPKQH-UHFFFAOYSA-N PubChem CID: 15292 IUPAC Name: 2,4-dichloro-6-methylphenol SMILES: CC1=CC(=CC(=C1O)Cl)Cl
PubChem CID | 15292 |
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CAS | 1570-65-6 |
Molecular Weight (g/mol) | 177.024 |
MDL Number | MFCD00019988 |
SMILES | CC1=CC(=CC(=C1O)Cl)Cl |
IUPAC Name | 2,4-dichloro-6-methylphenol |
InChI Key | WJQZZLQMLJPKQH-UHFFFAOYSA-N |
Molecular Formula | C7H6Cl2O |