N-(5-Bromo-2-fluorophenyl)-N'-(2-methylpropyl)guanidine
Basic information
- CAS
1250364-26-1- Standard SMILES
CC(C)CN=C(N)Nc1cc(Br)ccc1F- InChIKey
PPLDUYYIVJEEJE-UHFFFAOYSA-N- Molecular formula
- C11H15BrFN3
- Average molar mass
- 288.16 g/mol
- Monoisotopic mass
- 287.04334
Names & identifiers
- Preferred name
- N-(5-Bromo-2-fluorophenyl)-N'-(2-methylpropyl)guanidine
- IUPAC
- 1-(5-bromo-2-fluorophenyl)-2-(2-methylpropyl)guanidine
Names & synonyms
DTXSID801192612AKOS011667529N-(5-Bromo-2-fluorophenyl)-N'-(2-methylpropyl)guanidineGuanidine, N-(5-bromo-2-fluorophenyl)-Na(2)-(2-methylpropyl)-1250364-26-1
Database identifiers
- CAS
1250364-26-1- PubChem CID
- 62380933
- DTXSID
DTXSID801192612
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 50.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 245
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Compound notes
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