Basic information
- CAS
65674-04-6- Standard SMILES
O=c1c(Cl)c[nH]c2c([N+](=O)[O-])cccc12- InChIKey
XDDZQXQZUBKOKM-UHFFFAOYSA-N- Molecular formula
- C9H5ClN2O3
- Average molar mass
- 224.6 g/mol
- Monoisotopic mass
- 223.9988697
Names & identifiers
- Preferred name
- 3-Chloro-8-nitroquinolin-4-OL
- IUPAC
- 3-chloro-8-nitro-1H-quinolin-4-one
- English name
- 3-CHLORO-8-NITROQUINOLIN-4-OL
- Molecular formula
- C9H5ClN2O3
- Molecular weight
- 224.6
Names & synonyms
3-CHLORO-8-NITROQUINOLIN-4-OL65674-04-63-Chloro-8-nitroquinolin-4(1H)-oneSCHEMBL6538378DTXSID204951563-chloro-8-nitro-4(1H)-QuinolinoneDB-1283224-Quinolinol, 3-chloro-8-nitro-
Database identifiers
- CAS
65674-04-6- PubChem CID
- 12376860
- DTXSID
DTXSID20495156
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 74.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 337
Physicochemical properties
- Melting point
- 270 °C · 270 °C
- Boiling point
- 386 · 386.0±37.0 °C(Predicted)
- Density
- 1.615 · 1.615±0.06 g/cm3(Predicted)
- pka
- 0.23 · 0.23±0.50(Predicted)
Chemistry & industry
Suppliers1 total
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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