4-[(4-Bromobenzyl)oxy]-3-methoxybenzoyl chloride
Basic information
- CAS
1160249-68-2- Standard SMILES
COc1cc(C(=O)Cl)ccc1OCc1ccc(Br)cc1- InChIKey
RWHRMUAPFIUZQQ-UHFFFAOYSA-N- Molecular formula
- C15H12BrClO3
- Average molar mass
- 355.61 g/mol
- Monoisotopic mass
- 353.96583
Names & identifiers
- Preferred name
- 4-[(4-Bromobenzyl)oxy]-3-methoxybenzoyl chloride
- IUPAC
- 4-[(4-bromophenyl)methoxy]-3-methoxybenzoyl chloride
- English name
- 4-[(4-bromobenzyl)oxy]-3-methoxybenzoyl chloride
- Molecular formula
- C15H12BrClO3
- Molecular weight
- 355.61
Names & synonyms
1160249-68-24-[(4-BROMOBENZYL)OXY]-3-METHOXYBENZOYL CHLORIDE4-[(4-bromophenyl)methoxy]-3-methoxybenzoyl chloride4-((4-Bromobenzyl)oxy)-3-methoxybenzoyl chlorideMFCD12197898benzoyl chloride, 4-[(4-bromophenyl)methoxy]-3-methoxy-DTXSID501218724ALBB-011389BBL037066STL508749AKOS005173289VS-13859
Show more names
H263914-((4-Bromobenzyl)oxy)-3-methoxybenzoylchloride4-[(4-bromophenyl)methoxy]-3-methoxy-benzoyl chloride
Database identifiers
- CAS
1160249-68-2- PubChem CID
- 46779652
- DTXSID
DTXSID501218724
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 318
Physicochemical properties
- Boiling point
- 461.7 · 461.7±35.0 °C(Predicted)
- Density
- 1.477 · 1.477±0.06 g/cm3(Predicted)
- HazardClass
- IRRITANT
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hazard_class
- IRRITANT
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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