Basic information
- CAS
946786-62-5- Standard SMILES
COc1ccccc1Oc1ccc(Br)cc1N- InChIKey
IFZPYVRQPUIXAE-UHFFFAOYSA-N- Molecular formula
- C13H12BrNO2
- Average molar mass
- 294.14 g/mol
- Monoisotopic mass
- 293.00514
Names & identifiers
- Preferred name
- 5-Bromo-2-(2-methoxyphenoxy)aniline
- IUPAC
- 5-bromo-2-(2-methoxyphenoxy)aniline
- English name
- 5-BROMO-2-(2-METHOXYPHENOXY)ANILINE
- Molecular formula
- C13H12BrNO2
- Molecular weight
- 294.14
Names & synonyms
5-BROMO-2-(2-METHOXYPHENOXY)ANILINE946786-62-5AKOS0002151405-Bromo-2-(2-methoxyphenoxy)benzenamineBenzenamine, 5-bromo-2-(2-methoxyphenoxy)-
Database identifiers
- CAS
946786-62-5- PubChem CID
- 26190418
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 44.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 239
Physicochemical properties
- Boiling point
- 365.3 · 365.3±32.0 °C(Predicted)
- Density
- 1.452 · 1.452±0.06 g/cm3(Predicted)
- pka
- 3.31 · 3.31±0.10(Predicted)
- Hazard Codes
- Xi
- 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_code
- Xi
- hazard_class
- IRRITANT
Chemistry & industry
Suppliers1 total
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…