7DU4Nnc6X7
Basic information
- CAS
2505157-36-6- Standard SMILES
COC(=O)c1ccc(NC(=O)c2cc(Cl)cc(Cl)c2)c(O)c1- InChIKey
AWRQHSWVIDCHDN-UHFFFAOYSA-N- Molecular formula
- C15H11Cl2NO4
- Average molar mass
- 340.2 g/mol
- Monoisotopic mass
- 339.0065132
Names & identifiers
- Preferred name
- 7DU4Nnc6X7
- IUPAC
- methyl 4-[(3,5-dichlorobenzoyl)amino]-3-hydroxybenzoate
- English name
- Benzoic acid, 4-[(3,5-dichlorobenzoyl)amino]-3-hydroxy-, methyl ester
- Molecular formula
- C15H11Cl2NO4
- Molecular weight
- 340.16
Names & synonyms
7DU4NNC6X7SCHEMBL22529632Methyl 4-[(3,5-dichlorobenzoyl)amino]-3-hydroxybenzoateBenzoic acid, 4-[(3,5-dichlorobenzoyl)amino]-3-hydroxy-, methyl ester2505157-36-6Tafamidis Impurity 104-(3,5-Dichlorobenzamido)-3-Hydroxybenzoic Acid Methyl Ester
Database identifiers
- CAS
2505157-36-6- PubChem CID
- 155191744
- UNII
- 7DU4NNC6X7
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 75.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 410
Physicochemical properties
- Boiling point
- 445.5 · 445.5±45.0 °C(Predicted)
- Density
- 1.488 · 1.488±0.06 g/cm3(Predicted)
- pka
- 8.17 · 8.17±0.40(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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