Benzenoids
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Sodium Salicylate, Crystal, USP, 98-102%, Spectrum™ Chemical
CAS: 54-21-7 Molecular Formula: C7H5NaO3 Molecular Weight (g/mol): 160.10 InChI Key: ABBQHOQBGMUPJH-UHFFFAOYSA-M IUPAC Name: sodium 2-hydroxybenzoate SMILES: [Na+].OC1=CC=CC=C1C([O-])=O
| CAS | 54-21-7 |
|---|---|
| Molecular Weight (g/mol) | 160.10 |
| SMILES | [Na+].OC1=CC=CC=C1C([O-])=O |
| IUPAC Name | sodium 2-hydroxybenzoate |
| InChI Key | ABBQHOQBGMUPJH-UHFFFAOYSA-M |
| Molecular Formula | C7H5NaO3 |
Methyl 5-chloro-2-methoxybenzoate, 98%
CAS: 33924-48-0 Molecular Formula: C9H9ClO3 Molecular Weight (g/mol): 200.618 MDL Number: MFCD00017511 InChI Key: HPTHYBXMNNGQEF-UHFFFAOYSA-N Synonym: methyl 5-chloro-o-anisate,methyl-5-chloro-2-methoxybenzoate,5-chloro-2-methoxybenzoic acid methyl ester,benzoic acid, 5-chloro-2-methoxy-, methyl ester,5-chloro-o-anisic acid methyl ester,5-chloro-2-methoxy-benzoic acid methyl ester,pubchem3709,methyl5-chloro-2-methoxybenzoate,acmc-1agpb,dsstox_cid_31509 PubChem CID: 118574 IUPAC Name: methyl 5-chloro-2-methoxybenzoate SMILES: COC1=C(C=C(C=C1)Cl)C(=O)OC
| PubChem CID | 118574 |
|---|---|
| CAS | 33924-48-0 |
| Molecular Weight (g/mol) | 200.618 |
| MDL Number | MFCD00017511 |
| SMILES | COC1=C(C=C(C=C1)Cl)C(=O)OC |
| Synonym | methyl 5-chloro-o-anisate,methyl-5-chloro-2-methoxybenzoate,5-chloro-2-methoxybenzoic acid methyl ester,benzoic acid, 5-chloro-2-methoxy-, methyl ester,5-chloro-o-anisic acid methyl ester,5-chloro-2-methoxy-benzoic acid methyl ester,pubchem3709,methyl5-chloro-2-methoxybenzoate,acmc-1agpb,dsstox_cid_31509 |
| IUPAC Name | methyl 5-chloro-2-methoxybenzoate |
| InChI Key | HPTHYBXMNNGQEF-UHFFFAOYSA-N |
| Molecular Formula | C9H9ClO3 |
3-Fluorobenzoic acid, 99%
CAS: 455-38-9 Molecular Formula: C7H5FO2 Molecular Weight (g/mol): 140.11 MDL Number: MFCD00002489 InChI Key: MXNBDFWNYRNIBH-UHFFFAOYSA-N Synonym: m-fluorobenzoic acid,benzoic acid, 3-fluoro,meta-fluorobenzoic acid,benzoic acid, m-fluoro,3-fluoro-benzoic acid,3-fluorobenzoicacid,pubchem3480,3-fluorobenzoic acid,ksc235q1b,paragos 390192 PubChem CID: 9968 ChEBI: CHEBI:20021 IUPAC Name: 3-fluorobenzoic acid SMILES: OC(=O)C1=CC=CC(F)=C1
| PubChem CID | 9968 |
|---|---|
| CAS | 455-38-9 |
| Molecular Weight (g/mol) | 140.11 |
| ChEBI | CHEBI:20021 |
| MDL Number | MFCD00002489 |
| SMILES | OC(=O)C1=CC=CC(F)=C1 |
| Synonym | m-fluorobenzoic acid,benzoic acid, 3-fluoro,meta-fluorobenzoic acid,benzoic acid, m-fluoro,3-fluoro-benzoic acid,3-fluorobenzoicacid,pubchem3480,3-fluorobenzoic acid,ksc235q1b,paragos 390192 |
| IUPAC Name | 3-fluorobenzoic acid |
| InChI Key | MXNBDFWNYRNIBH-UHFFFAOYSA-N |
| Molecular Formula | C7H5FO2 |
2-Bromo-4-chlorobenzoic acid, 97%
CAS: 936-08-3 Molecular Formula: C7H4BrClO2 Molecular Weight (g/mol): 235.461 MDL Number: MFCD00672930 InChI Key: USMQLFCVCDEXAK-UHFFFAOYSA-N Synonym: 2-bromo-4-chloro-benzoic acid,benzoic acid, 2-bromo-4-chloro,2-bromo-4-chlorobenzoicacid,pubchem4028,acmc-209rmm,p-chloro bromo benzoic acid,ksc486m1d,benzoicacid, 2-bromo-4-chloro,2-bromo-4-chlorobenzoic acid PubChem CID: 33126 IUPAC Name: 2-bromo-4-chlorobenzoic acid SMILES: C1=CC(=C(C=C1Cl)Br)C(=O)O
| PubChem CID | 33126 |
|---|---|
| CAS | 936-08-3 |
| Molecular Weight (g/mol) | 235.461 |
| MDL Number | MFCD00672930 |
| SMILES | C1=CC(=C(C=C1Cl)Br)C(=O)O |
| Synonym | 2-bromo-4-chloro-benzoic acid,benzoic acid, 2-bromo-4-chloro,2-bromo-4-chlorobenzoicacid,pubchem4028,acmc-209rmm,p-chloro bromo benzoic acid,ksc486m1d,benzoicacid, 2-bromo-4-chloro,2-bromo-4-chlorobenzoic acid |
| IUPAC Name | 2-bromo-4-chlorobenzoic acid |
| InChI Key | USMQLFCVCDEXAK-UHFFFAOYSA-N |
| Molecular Formula | C7H4BrClO2 |
2-Bromo-4,5-difluorobenzoic acid, 97%
CAS: 64695-84-7 Molecular Formula: C7H3BrF2O2 Molecular Weight (g/mol): 237 MDL Number: MFCD04973422 InChI Key: DGCBGBZYTNTZJH-UHFFFAOYSA-N Synonym: 2-bromo-4,5-difluorobenzoicacid,2-bromo-4,5-difluoro-benzoic acid,benzoic acid, 2-bromo-4,5-difluoro,pubchem4991,acmc-209nnq,ksc495k3l,benzoic acid,2-bromo-4,5-difluoro,2-bromo-4,5-difluorobenzoic acid,2-bromanyl-4,5-bis fluoranyl benzoic acid PubChem CID: 2782789 IUPAC Name: 2-bromo-4,5-difluorobenzoic acid SMILES: C1=C(C(=CC(=C1F)F)Br)C(=O)O
| PubChem CID | 2782789 |
|---|---|
| CAS | 64695-84-7 |
| Molecular Weight (g/mol) | 237 |
| MDL Number | MFCD04973422 |
| SMILES | C1=C(C(=CC(=C1F)F)Br)C(=O)O |
| Synonym | 2-bromo-4,5-difluorobenzoicacid,2-bromo-4,5-difluoro-benzoic acid,benzoic acid, 2-bromo-4,5-difluoro,pubchem4991,acmc-209nnq,ksc495k3l,benzoic acid,2-bromo-4,5-difluoro,2-bromo-4,5-difluorobenzoic acid,2-bromanyl-4,5-bis fluoranyl benzoic acid |
| IUPAC Name | 2-bromo-4,5-difluorobenzoic acid |
| InChI Key | DGCBGBZYTNTZJH-UHFFFAOYSA-N |
| Molecular Formula | C7H3BrF2O2 |
Methyl 2-amino-5-bromobenzoate, 98%
CAS: 52727-57-8 Molecular Formula: C8H8BrNO2 Molecular Weight (g/mol): 230.06 MDL Number: MFCD00144761 InChI Key: QVNYNHCNNGKULA-UHFFFAOYSA-N Synonym: methyl 5-bromoanthranilate,2-amino-5-bromobenzoic acid methyl ester,5-bromoanthranilic acid methyl ester,2-amino-5-bromo-benzoic acid methyl ester,methyl 5-bromo-2-aminobenzoate,benzoic acid, 2-amino-5-bromo-, methyl ester,benzoic acid, 2-amino-5-bromo-, methyl ester, hydrochloride,pubchem3344,methyl-5-bromoanthranilate,acmc-1ats7 PubChem CID: 736224 IUPAC Name: methyl 2-amino-5-bromobenzoate SMILES: COC(=O)C1=CC(Br)=CC=C1N
| PubChem CID | 736224 |
|---|---|
| CAS | 52727-57-8 |
| Molecular Weight (g/mol) | 230.06 |
| MDL Number | MFCD00144761 |
| SMILES | COC(=O)C1=CC(Br)=CC=C1N |
| Synonym | methyl 5-bromoanthranilate,2-amino-5-bromobenzoic acid methyl ester,5-bromoanthranilic acid methyl ester,2-amino-5-bromo-benzoic acid methyl ester,methyl 5-bromo-2-aminobenzoate,benzoic acid, 2-amino-5-bromo-, methyl ester,benzoic acid, 2-amino-5-bromo-, methyl ester, hydrochloride,pubchem3344,methyl-5-bromoanthranilate,acmc-1ats7 |
| IUPAC Name | methyl 2-amino-5-bromobenzoate |
| InChI Key | QVNYNHCNNGKULA-UHFFFAOYSA-N |
| Molecular Formula | C8H8BrNO2 |
| CAS | 88-67-5 |
|---|
3-Aminosalicylic acid, 97%
CAS: 570-23-0 Molecular Formula: C7H7NO3 Molecular Weight (g/mol): 153.137 MDL Number: MFCD00010299 InChI Key: IQGMRVWUTCYCST-UHFFFAOYSA-N Synonym: 3-aminosalicylic acid,3-amino salicylic acid,benzoic acid, 3-amino-2-hydroxy,3-amino-2-hydroxy-benzoic acid,2-amino-6-carboxyphenol,salicylic acid, 3-amino,3-carboxy-2-hydroxyaniline,3 or 5-aminosalicylic acid,benzoic acid, amino-2-hydroxy PubChem CID: 68443 IUPAC Name: 3-amino-2-hydroxybenzoic acid SMILES: C1=CC(=C(C(=C1)N)O)C(=O)O
| PubChem CID | 68443 |
|---|---|
| CAS | 570-23-0 |
| Molecular Weight (g/mol) | 153.137 |
| MDL Number | MFCD00010299 |
| SMILES | C1=CC(=C(C(=C1)N)O)C(=O)O |
| Synonym | 3-aminosalicylic acid,3-amino salicylic acid,benzoic acid, 3-amino-2-hydroxy,3-amino-2-hydroxy-benzoic acid,2-amino-6-carboxyphenol,salicylic acid, 3-amino,3-carboxy-2-hydroxyaniline,3 or 5-aminosalicylic acid,benzoic acid, amino-2-hydroxy |
| IUPAC Name | 3-amino-2-hydroxybenzoic acid |
| InChI Key | IQGMRVWUTCYCST-UHFFFAOYSA-N |
| Molecular Formula | C7H7NO3 |
2-Fluoro-4-methylbenzoic acid, 97%
CAS: 7697-23-6 Molecular Formula: C8H7FO2 Molecular Weight (g/mol): 154.14 MDL Number: MFCD03092906 InChI Key: ALFWHEYHCZRVLO-UHFFFAOYSA-N Synonym: 2-fluoro-4-methyl-benzoic acid,2-fluoro-p-toluic acid,2-fluoro-4-methylbenzoicacid,benzoic acid, 2-fluoro-4-methyl,pubchem1395,acmc-1bbau,4-carboxy-3-fluorotoluene,ksc377a4r,rarechem al bo 2237,2-fluoro-4-methyl benzoic acid PubChem CID: 2736145 IUPAC Name: 2-fluoro-4-methylbenzoic acid SMILES: CC1=CC=C(C(O)=O)C(F)=C1
| PubChem CID | 2736145 |
|---|---|
| CAS | 7697-23-6 |
| Molecular Weight (g/mol) | 154.14 |
| MDL Number | MFCD03092906 |
| SMILES | CC1=CC=C(C(O)=O)C(F)=C1 |
| Synonym | 2-fluoro-4-methyl-benzoic acid,2-fluoro-p-toluic acid,2-fluoro-4-methylbenzoicacid,benzoic acid, 2-fluoro-4-methyl,pubchem1395,acmc-1bbau,4-carboxy-3-fluorotoluene,ksc377a4r,rarechem al bo 2237,2-fluoro-4-methyl benzoic acid |
| IUPAC Name | 2-fluoro-4-methylbenzoic acid |
| InChI Key | ALFWHEYHCZRVLO-UHFFFAOYSA-N |
| Molecular Formula | C8H7FO2 |
4-Fluoro-2-iodobenzoic acid, 97%
CAS: 56096-89-0 Molecular Formula: C7H4FIO2 Molecular Weight (g/mol): 266.01 MDL Number: MFCD04108278 InChI Key: DUKFTVLJAXWGPI-UHFFFAOYSA-N Synonym: 4-fluoro-2-iodo-benzoic acid,2-iodo-4-fluorobenzoic acid,4-fluoro-2-iodobenzoicacid,benzoic acid, 4-fluoro-2-iodo,benzoic acid, 4-fluoroiodo,pubchem1389,acmc-1atr7,ksc494a9j,benzoic acid,4-fluoro-2-iodo,buttpark 83\07-33 PubChem CID: 12520164 IUPAC Name: 4-fluoro-2-iodobenzoic acid SMILES: C1=CC(=C(C=C1F)I)C(=O)O
| PubChem CID | 12520164 |
|---|---|
| CAS | 56096-89-0 |
| Molecular Weight (g/mol) | 266.01 |
| MDL Number | MFCD04108278 |
| SMILES | C1=CC(=C(C=C1F)I)C(=O)O |
| Synonym | 4-fluoro-2-iodo-benzoic acid,2-iodo-4-fluorobenzoic acid,4-fluoro-2-iodobenzoicacid,benzoic acid, 4-fluoro-2-iodo,benzoic acid, 4-fluoroiodo,pubchem1389,acmc-1atr7,ksc494a9j,benzoic acid,4-fluoro-2-iodo,buttpark 83\07-33 |
| IUPAC Name | 4-fluoro-2-iodobenzoic acid |
| InChI Key | DUKFTVLJAXWGPI-UHFFFAOYSA-N |
| Molecular Formula | C7H4FIO2 |
4-Bromobenzamide, 97%, Thermo Scientific™
CAS: 698-67-9 Molecular Formula: C7H6BrNO Molecular Weight (g/mol): 200.03 MDL Number: MFCD00007991 InChI Key: ZRWNRAJCPNLYAK-UHFFFAOYSA-N Synonym: p-bromobenzamide,benzamide, 4-bromo,benzamide, p-bromo,p-bromobenzoic acid amide,4-bromo-benzamide,4-bromo benzamide,pubchem3737,acmc-209obe,4-bromobenzamide,4-bromobenzoic acid amide PubChem CID: 69683 IUPAC Name: 4-bromobenzamide SMILES: C1=CC(=CC=C1C(=O)N)Br
| PubChem CID | 69683 |
|---|---|
| CAS | 698-67-9 |
| Molecular Weight (g/mol) | 200.03 |
| MDL Number | MFCD00007991 |
| SMILES | C1=CC(=CC=C1C(=O)N)Br |
| Synonym | p-bromobenzamide,benzamide, 4-bromo,benzamide, p-bromo,p-bromobenzoic acid amide,4-bromo-benzamide,4-bromo benzamide,pubchem3737,acmc-209obe,4-bromobenzamide,4-bromobenzoic acid amide |
| IUPAC Name | 4-bromobenzamide |
| InChI Key | ZRWNRAJCPNLYAK-UHFFFAOYSA-N |
| Molecular Formula | C7H6BrNO |
5-Fluorosalicylic acid, 97%
CAS: 345-16-4 Molecular Formula: C7H5FO3 Molecular Weight (g/mol): 156.112 MDL Number: MFCD00002456 InChI Key: JWPRICQKUNODPZ-UHFFFAOYSA-N Synonym: 5-fluorosalicylic acid,2-hydroxy-5-fluorobenzoic acid,benzoic acid, 5-fluoro-2-hydroxy,5-fluoro-2-hydroxybenzoicacid,5-fluoro-2-hydroxy-benzoic acid,5fluorosalicylic acid,pubchem1382,5-fluoro-salicylic acid,2-carboxy-4-fluorophenol PubChem CID: 67658 IUPAC Name: 5-fluoro-2-hydroxybenzoic acid SMILES: C1=CC(=C(C=C1F)C(=O)O)O
| PubChem CID | 67658 |
|---|---|
| CAS | 345-16-4 |
| Molecular Weight (g/mol) | 156.112 |
| MDL Number | MFCD00002456 |
| SMILES | C1=CC(=C(C=C1F)C(=O)O)O |
| Synonym | 5-fluorosalicylic acid,2-hydroxy-5-fluorobenzoic acid,benzoic acid, 5-fluoro-2-hydroxy,5-fluoro-2-hydroxybenzoicacid,5-fluoro-2-hydroxy-benzoic acid,5fluorosalicylic acid,pubchem1382,5-fluoro-salicylic acid,2-carboxy-4-fluorophenol |
| IUPAC Name | 5-fluoro-2-hydroxybenzoic acid |
| InChI Key | JWPRICQKUNODPZ-UHFFFAOYSA-N |
| Molecular Formula | C7H5FO3 |
2,6-Dihydroxybenzoic acid, 98%
CAS: 303-07-1 Molecular Formula: C7H6O4 Molecular Weight (g/mol): 154.12 MDL Number: MFCD00002462 InChI Key: AKEUNCKRJATALU-UHFFFAOYSA-N Synonym: gamma-resorcylic acid,2-carboxyresorcinol,2,6-resorcylic acid,6-hydroxysalicylic acid,benzoic acid, 2,6-dihydroxy,.gamma.-resorcylic acid,unii-rsa5g6vrpv,rsa5g6vrpv,2,6-dihydroxy benzoic acid,2,6-dihydroxy-benzoic acid PubChem CID: 9338 ChEBI: CHEBI:68465 IUPAC Name: 2,6-dihydroxybenzoic acid SMILES: OC(=O)C1=C(O)C=CC=C1O
| PubChem CID | 9338 |
|---|---|
| CAS | 303-07-1 |
| Molecular Weight (g/mol) | 154.12 |
| ChEBI | CHEBI:68465 |
| MDL Number | MFCD00002462 |
| SMILES | OC(=O)C1=C(O)C=CC=C1O |
| Synonym | gamma-resorcylic acid,2-carboxyresorcinol,2,6-resorcylic acid,6-hydroxysalicylic acid,benzoic acid, 2,6-dihydroxy,.gamma.-resorcylic acid,unii-rsa5g6vrpv,rsa5g6vrpv,2,6-dihydroxy benzoic acid,2,6-dihydroxy-benzoic acid |
| IUPAC Name | 2,6-dihydroxybenzoic acid |
| InChI Key | AKEUNCKRJATALU-UHFFFAOYSA-N |
| Molecular Formula | C7H6O4 |
Methyl 3-bromo-5-fluorobenzoate, 98%
CAS: 334792-52-8 Molecular Formula: C8H6BrFO2 Molecular Weight (g/mol): 233.04 MDL Number: MFCD07780735 InChI Key: JERAACCIOWRRQA-UHFFFAOYSA-N Synonym: 3-bromo-5-fluorobenzoic acid methyl ester,benzoic acid, 3-bromo-5-fluoro-, methyl ester,acmc-209i1c,methyl 5-bromo-3-fluorobenzoate,methyl-3-bromo-5-fluorobenzoate,3-bromo-5-fluoro-benzoic acid methyl ester,benzoicacid, 3-bromo-5-fluoro-, methyl ester PubChem CID: 21942598 IUPAC Name: methyl 3-bromo-5-fluorobenzoate SMILES: COC(=O)C1=CC(F)=CC(Br)=C1
| PubChem CID | 21942598 |
|---|---|
| CAS | 334792-52-8 |
| Molecular Weight (g/mol) | 233.04 |
| MDL Number | MFCD07780735 |
| SMILES | COC(=O)C1=CC(F)=CC(Br)=C1 |
| Synonym | 3-bromo-5-fluorobenzoic acid methyl ester,benzoic acid, 3-bromo-5-fluoro-, methyl ester,acmc-209i1c,methyl 5-bromo-3-fluorobenzoate,methyl-3-bromo-5-fluorobenzoate,3-bromo-5-fluoro-benzoic acid methyl ester,benzoicacid, 3-bromo-5-fluoro-, methyl ester |
| IUPAC Name | methyl 3-bromo-5-fluorobenzoate |
| InChI Key | JERAACCIOWRRQA-UHFFFAOYSA-N |
| Molecular Formula | C8H6BrFO2 |
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 |