Basic information
- CAS
13675-92-8- Standard SMILES
O=[N+]([O-])c1ccc2c(ccc[n+]2[O-])c1- InChIKey
FABIKJYANKLSLU-UHFFFAOYSA-N- Molecular formula
- C9H6N2O3
- Average molar mass
- 190.16 g/mol
- Monoisotopic mass
- 190.03784205
Names & identifiers
- Preferred name
- 6-Nitroquinoline N-oxide
- IUPAC
- 6-nitro-1-oxidoquinolin-1-ium
- English name
- Quinoline, 6-nitro-, 1-oxide
- Molecular formula
- C9H6N2O3
- Molecular weight
- 190.16
Names & synonyms
6-Nitroquinoline 1-oxide13675-92-86-Nitroquinoline N-oxideRefChem:9140516-nitro-1-oxidoquinolin-1-iumQuinoline, 6-nitro-, 1-oxide6-Nitroquinoline-1-oxideBRN 01652816-Nitroquinoline-N-oxide4-20-00-03398 (Beilstein Handbook Reference)SCHEMBL1772400FABIKJYANKLSLU-UHFFFAOYSA-N
Show more names
InChI=1/C9H6N2O3/c12-10-5-1-2-7-6-8(11(13)14)3-4-9(7)10/h1-6
Database identifiers
- CAS
13675-92-8- PubChem CID
- 83646
- DTXSID
DTXSID70929537- Nikkaji
- J59.547K
Properties
Computed structural properties
- XLogP
- 0.4
- Topological polar surface area
- 71.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 229
Physicochemical properties
- Melting point
- 220 · 220-222 °C
- Boiling point
- 400.9 · 400.9±37.0 °C(Predicted)
- Density
- 1.42 · 1.42±0.1 g/cm3(Predicted)
- pka
- -0.36 · -0.36±0.30(Predicted)
- EWG's Food Scores
- 1 · 1
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers1 total
杭州迈世腾药物科技有限公司0571-82896630 18969958410 · [email protected]
Related reactions
6 records
Compound notes
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