Basic information
- CAS
6524-75-0- Standard SMILES
O=C(Nc1ccc(Cl)cc1)Nc1c([N+](=O)[O-])cc([N+](=O)[O-])c2cccnc12- InChIKey
HZHUMRWQOQAGMH-UHFFFAOYSA-N- Molecular formula
- C16H10ClN5O5
- Average molar mass
- 387.73 g/mol
- Monoisotopic mass
- 387.0370461
Names & identifiers
- Preferred name
- N-(4-Chlorophenyl)-N'-(5,7-dinitroquinolin-8-yl)urea
- IUPAC
- 1-(4-chlorophenyl)-3-(5,7-dinitroquinolin-8-yl)urea
Names & synonyms
6524-75-0N-(4-Chlorophenyl)-N'-(5,7-dinitroquinolin-8-yl)ureaDTXSID20410425
Database identifiers
- CAS
6524-75-0- PubChem CID
- 5213331
- DTXSID
DTXSID20410425
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 146 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 575
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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