Basic information
- CAS
730942-61-7- Standard SMILES
O=C(COC(=O)C1CC1)Nc1ccc(N=Nc2ccccc2)cc1- InChIKey
UEGFVGOEWBSEFF-UHFFFAOYSA-N- Molecular formula
- C18H17N3O3
- Average molar mass
- 323.3 g/mol
- Monoisotopic mass
- 323.12699141
Names & identifiers
- Preferred name
- Cyclopropanecarboxylic acid, 2-oxo-2-[[4-(2-phenyldiazenyl)phenyl]amino]ethyl ester
- IUPAC
- [2-oxo-2-(4-phenyldiazenylanilino)ethyl] cyclopropanecarboxylate
Names & synonyms
MLS000375356CHEMBL1382920DTXSID401040510HMS2559C17AKOS033709736Cyclopropanecarboxylic acid, 2-oxo-2-[[4-(2-phenyldiazenyl)phenyl]amino]ethyl ester730942-61-7SMR000254609Z19797041
Database identifiers
- CAS
730942-61-7- PubChem CID
- 4042008
- DTXSID
DTXSID401040510- ChEMBL
CHEMBL1382920
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 80.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 462
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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