Basic information
- CAS
566188-90-7- Standard SMILES
Cc1ccc(NC(=Nc2ccccc2Br)Nc2ccc(C)cc2)cc1- InChIKey
SNOANVPAFDCCKA-UHFFFAOYSA-N- Molecular formula
- C21H20BrN3
- Average molar mass
- 394.3 g/mol
- Monoisotopic mass
- 393.08406
Names & identifiers
- Preferred name
- N''-(2-Bromophenyl)-N,N'-bis(4-methylphenyl)guanidine
- IUPAC
- 2-(2-bromophenyl)-1,3-bis(4-methylphenyl)guanidine
Names & synonyms
566188-90-7N''-(2-Bromophenyl)-N,N'-bis(4-methylphenyl)guanidineDTXSID40514212
Database identifiers
- CAS
566188-90-7- PubChem CID
- 12969554
- DTXSID
DTXSID40514212
Properties
Computed structural properties
- XLogP
- 5.7
- Topological polar surface area
- 36.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 5
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 397
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…