Bicyclo[2.1.1]hexane-1-carboxamide, 6-bromo-4-(dibromomethyl)-5,5-dimethyl-N-[4-(2-phenyldiazenyl)phenyl]-
Basic information
- CAS
1025126-11-7- Standard SMILES
CC1(C)C2(C(=O)Nc3ccc(N=Nc4ccccc4)cc3)CCC1(C(Br)Br)C2Br- InChIKey
NBQDKCSPKLVTEZ-UHFFFAOYSA-N- Molecular formula
- C22H22Br3N3O
- Average molar mass
- 584.1 g/mol
- Monoisotopic mass
- 580.9313
Names & identifiers
- Preferred name
- Bicyclo[2.1.1]hexane-1-carboxamide, 6-bromo-4-(dibromomethyl)-5,5-dimethyl-N-[4-(2-phenyldiazenyl)phenyl]-
- IUPAC
- 6-bromo-4-(dibromomethyl)-5,5-dimethyl-N-(4-phenyldiazenylphenyl)bicyclo[2.1.1]hexane-1-carboxamide
Names & synonyms
DTXSID701039510AKOS002687656AKOS0160555161025126-11-7Bicyclo[2.1.1]hexane-1-carboxamide, 6-bromo-4-(dibromomethyl)-5,5-dimethyl-N-[4-(2-phenyldiazenyl)phenyl]-
Database identifiers
- CAS
1025126-11-7- PubChem CID
- 4513014
- DTXSID
DTXSID701039510
Properties
Computed structural properties
- XLogP
- 6.7
- Topological polar surface area
- 53.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 656
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Compound notes
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