ethyl 4-{[(E)-(5-bromo-2-hydroxyphenyl)methylidene]amino}benzoate
Basic information
- CAS
20130-14-7- Standard SMILES
CCOC(=O)c1ccc(N=Cc2cc(Br)ccc2O)cc1- InChIKey
DCSDSJNZJDYEPJ-UHFFFAOYSA-N- Molecular formula
- C16H14BrNO3
- Average molar mass
- 348.19 g/mol
- Monoisotopic mass
- 347.01571
Names & identifiers
- Preferred name
- ethyl 4-{[(E)-(5-bromo-2-hydroxyphenyl)methylidene]amino}benzoate
- IUPAC
- ethyl 4-[(5-bromo-2-hydroxyphenyl)methylideneamino]benzoate
- English name
- (E)-ethyl 4-((5-bromo-2-hydroxybenzylidene)amino)benzoate
- Molecular formula
- C16H14BrNO3
- Molecular weight
- 348.19
Names & synonyms
STK730873AKOS003408023ST010341(E)-ethyl 4-((5-bromo-2-hydroxybenzylidene)amino)benzoateethyl 4-[(1E)-2-(5-bromo-2-hydroxyphenyl)-1-azavinyl]benzoateethyl 4-{[(E)-(5-bromo-2-hydroxyphenyl)methylidene]amino}benzoate4-((5-BROMO-2-HYDROXY-BENZYLIDENE)-AMINO)-BENZOIC ACID ETHYL ESTERBenzoic acid, 4-[[(5-bromo-2-hydroxyphenyl)methylene]amino]-, ethyl ester
Database identifiers
- CAS
20130-14-7- PubChem CID
- 710194
- EC Number
- 167-333-2
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 58.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 367
Physicochemical properties
- Melting point
- 141 °C · 141 °C(Solv: methanol (67-56-1); N,N-dimethylformamide (68-12-2))
- Boiling point
- 479.1 · 479.1±45.0 °C(Predicted)
- Density
- 1.38 · 1.38±0.1 g/cm3(Predicted)
- pka
- 7.65 · 7.65±0.43(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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