4-Chloro-2-methylphenyl 2-bromo-3,4,5-trimethoxybenzoate
Basic information
- CAS
307507-72-8- Standard SMILES
COc1cc(C(=O)Oc2ccc(Cl)cc2C)c(Br)c(OC)c1OC- InChIKey
ZFTHSLAIYMWTNN-UHFFFAOYSA-N- Molecular formula
- C17H16BrClO5
- Average molar mass
- 415.7 g/mol
- Monoisotopic mass
- 413.98696
Names & identifiers
- Preferred name
- 4-Chloro-2-methylphenyl 2-bromo-3,4,5-trimethoxybenzoate
- IUPAC
- (4-chloro-2-methylphenyl) 2-bromo-3,4,5-trimethoxybenzoate
- English name
- 4-Chloro-2-methylphenyl 2-bromo-3,4,5-trimethoxybenzoate
- Molecular formula
- C17H16BrClO5
- Molecular weight
- 415.66
Names & synonyms
4-chloro-2-methylphenyl 2-bromo-3,4,5-trimethoxybenzoateOprea1_400802Oprea1_448617AKOS002264721ST50189794Benzoic acid, 2-bromo-3,4,5-trimethoxy-, 4-chloro-2-methylphenyl ester
Database identifiers
- CAS
307507-72-8- PubChem CID
- 978669
- EC Number
- 144-609-0
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 54 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 424
Physicochemical properties
- Boiling point
- 544.095 · 544.095±50.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.437 · 1.437±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
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Compound notes
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