Basic information
- CAS
1156602-70-8- Standard SMILES
NCc1cccc(COc2ccc(Br)cc2Cl)c1- InChIKey
LVMRBKHNNBURHK-UHFFFAOYSA-N- Molecular formula
- C14H13BrClNO
- Average molar mass
- 326.61 g/mol
- Monoisotopic mass
- 324.9869
Names & identifiers
- Preferred name
- 3-[(4-Bromo-2-chlorophenoxy)methyl]benzenemethanamine
- IUPAC
- [3-[(4-bromo-2-chlorophenoxy)methyl]phenyl]methanamine
Names & synonyms
3-[(4-Bromo-2-chlorophenoxy)methyl]benzenemethanamineDTXSID001212890AKOS0058423851156602-70-81-{3-[(4-Bromo-2-chlorophenoxy)methyl]phenyl}methanamine
Database identifiers
- CAS
1156602-70-8- PubChem CID
- 43531258
- DTXSID
DTXSID001212890
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 35.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 254
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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