4-{[(4-Bromo-3-chlorophenyl)imino]methyl}-2-methoxyphenyl acetate
Basic information
- CAS
303760-43-2- Standard SMILES
COc1cc(C=Nc2ccc(Br)c(Cl)c2)ccc1OC(C)=O- InChIKey
QODHKDZVPWBRFU-UHFFFAOYSA-N- Molecular formula
- C16H13BrClNO3
- Average molar mass
- 382.63 g/mol
- Monoisotopic mass
- 380.97673
Names & identifiers
- Preferred name
- 4-{[(4-Bromo-3-chlorophenyl)imino]methyl}-2-methoxyphenyl acetate
- IUPAC
- [4-[(4-bromo-3-chlorophenyl)iminomethyl]-2-methoxyphenyl] acetate
- English name
- 4-{[(4-bromo-3-chlorophenyl)imino]methyl}-2-methoxyphenyl acetate
- Molecular formula
- C16H13BrClNO3
- Molecular weight
- 382.64
Names & synonyms
4-{[(4-bromo-3-chlorophenyl)imino]methyl}-2-methoxyphenyl acetate[4-[(4-bromo-3-chlorophenyl)iminomethyl]-2-methoxyphenyl] acetateSTK036334AKOS000491065AN-329/11378345F3145-1044(E)-4-(((4-bromo-3-chlorophenyl)imino)methyl)-2-methoxyphenyl acetate4-{(E)-[(4-bromo-3-chlorophenyl)imino]methyl}-2-methoxyphenyl acetateACETIC ACID 4-((4-BROMO-3-CHLORO-PHENYLIMINO)-METHYL)-2-METHOXY-PHENYL ESTERPhenol, 4-[[(4-bromo-3-chlorophenyl)imino]methyl]-2-methoxy-, 1-acetate
Database identifiers
- CAS
303760-43-2- PubChem CID
- 1009782
- EC Number
- 168-080-0
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 47.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 407
Physicochemical properties
- Boiling point
- 476.7 · 476.7±45.0 °C(Predicted)
- Density
- 1.42 · 1.42±0.1 g/cm3(Predicted)
- pka
- 1.78 · 1.78±0.50(Predicted)
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Compound notes
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