Basic information
- CAS
5330-86-9- Standard SMILES
O=[N+]([O-])c1c(Cl)ccc2c(Cl)ccnc12- InChIKey
BVDZJEJLGLITID-UHFFFAOYSA-N- Molecular formula
- C9H4Cl2N2O2
- Average molar mass
- 243.04 g/mol
- Monoisotopic mass
- 241.96498273
Names & identifiers
- Preferred name
- 4,7-Dichloro-8-nitroquinoline
- IUPAC
- 4,7-dichloro-8-nitroquinoline
Names & synonyms
5330-86-94,7-DICHLORO-8-NITRO-QUINOLINE4,7-dichloro-8-nitroquinolineNSC2531SCHEMBL11973271DTXSID90277486BVDZJEJLGLITID-UHFFFAOYSA-NNSC-2531
Database identifiers
- CAS
5330-86-9- PubChem CID
- 220177
- DTXSID
DTXSID90277486- Nikkaji
- J81.001K
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 58.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 259
Related reactions
2 records
Compound notes
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