Basic information
- CAS
6093-21-6- Standard SMILES
N/C(Cc1ccc([N+](=O)[O-])cc1)=N\OC(=O)COc1ccc(Br)cc1- InChIKey
BHAJFLVPSLUZDQ-UHFFFAOYSA-N- Molecular formula
- C16H14BrN3O5
- Average molar mass
- 408.2 g/mol
- Monoisotopic mass
- 407.01168
Names & identifiers
- Preferred name
- [(Z)-[1-amino-2-(4-nitrophenyl)ethylidene]amino] 2-(4-bromophenoxy)acetate
- IUPAC
- [(Z)-[1-amino-2-(4-nitrophenyl)ethylidene]amino] 2-(4-bromophenoxy)acetate
Names & synonyms
6093-21-6[(Z)-[1-amino-2-(4-nitrophenyl)ethylidene]amino] 2-(4-bromophenoxy)acetateAC1NT7V5DTXSID60417478AKOS003272829BIM-0044944.P001SR-01000227376SR-01000227376-1(1Z)-N'-{[(4-Bromophenoxy)acetyl]oxy}(4-nitrophenyl)ethanimidamideN'-{[(4-bromophenoxy)acetyl]oxy}-2-(4-nitrophenyl)ethanimidamide
Database identifiers
- CAS
6093-21-6- PubChem CID
- 5348128
- DTXSID
DTXSID60417478
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 120 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 481
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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