Basic information
- CAS
1155945-71-3- Standard SMILES
N#Cc1ccc(C(=O)Nc2c(Br)cc(N)cc2Br)cc1- InChIKey
DQGDRNKSWCAOPT-UHFFFAOYSA-N- Molecular formula
- C14H9Br2N3O
- Average molar mass
- 395.05 g/mol
- Monoisotopic mass
- 392.91124
Names & identifiers
- Preferred name
- N-(4-amino-2,6-dibromophenyl)-4-cyanobenzamide
- IUPAC
- N-(4-amino-2,6-dibromophenyl)-4-cyanobenzamide
Names & synonyms
N-(4-amino-2,6-dibromophenyl)-4-cyanobenzamideDTXSID6012489201155945-71-3
Database identifiers
- CAS
1155945-71-3- PubChem CID
- 43549385
- DTXSID
DTXSID601248920
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 78.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 388
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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