4-Ethylphenyl (4-bromo-3-methylphenoxy)acetate
Basic information
- CAS
496033-84-2- Standard SMILES
CCc1ccc(OC(=O)COc2ccc(Br)c(C)c2)cc1- InChIKey
VNOVJHSSHGBDNQ-UHFFFAOYSA-N- Molecular formula
- C17H17BrO3
- Average molar mass
- 349.2 g/mol
Names & identifiers
- Preferred name
- 4-Ethylphenyl (4-bromo-3-methylphenoxy)acetate
- IUPAC
- (4-ethylphenyl) 2-(4-bromo-3-methylphenoxy)acetate
- English name
- 4-ethylphenyl (4-bromo-3-methylphenoxy)acetate
- Molecular formula
- C17H17BrO3
- Molecular weight
- 349.22
Names & synonyms
4-ethylphenyl (4-bromo-3-methylphenoxy)acetate(4-ethylphenyl) 2-(4-bromo-3-methylphenoxy)acetateTimTec1_003885Oprea1_522980HMS1545A13STK020546AKOS000492872ST0548674-ethylphenyl 2-(4-bromo-3-methylphenoxy)acetateAN-329/41306923Acetic acid, 2-(4-bromo-3-methylphenoxy)-, 4-ethylphenyl ester
Database identifiers
- CAS
496033-84-2
Properties
Computed structural properties
- XLogP
- 5.2
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 326
Physicochemical properties
- Boiling point
- 457.9 · 457.9±45.0 °C(Predicted)
- Density
- 1.339 · 1.339±0.06 g/cm3(Predicted)
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…