5-Bromo-I+/--(4-chlorophenyl)-2-fluorobenzenemethanamine
Basic information
- CAS
1016680-40-2- Standard SMILES
NC(c1ccc(Cl)cc1)c1cc(Br)ccc1F- InChIKey
YJKOORFPMXQPJT-UHFFFAOYSA-N- Molecular formula
- C13H10BrClFN
- Average molar mass
- 314.58 g/mol
- Monoisotopic mass
- 312.96692
Names & identifiers
- Preferred name
- 5-Bromo-I+/--(4-chlorophenyl)-2-fluorobenzenemethanamine
- IUPAC
- (5-bromo-2-fluorophenyl)-(4-chlorophenyl)methanamine
Names & synonyms
DTXSID301214669AKOS0001711221016680-40-25-Bromo-I+/--(4-chlorophenyl)-2-fluorobenzenemethanamine1-(5-BROMO-2-FLUOROPHENYL)-1-(4-CHLOROPHENYL)METHANAMINE
Database identifiers
- CAS
1016680-40-2- PubChem CID
- 24692201
- DTXSID
DTXSID301214669
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 26 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 246
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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