Basic information
- CAS
18714-34-6- Standard SMILES
O=[N+]([O-])c1ccc2ccccc2n1- InChIKey
UDAIGHZFMLGNDQ-UHFFFAOYSA-N- Molecular formula
- C9H6N2O2
- Average molar mass
- 174.16 g/mol
- Monoisotopic mass
- 174.04292743
Names & identifiers
- Preferred name
- 2-Nitroquinoline
- IUPAC
- 2-nitroquinoline
- English name
- 2-Nitroquinoline
- Molecular formula
- C9H6N2O2
- Molecular weight
- 174.16
Names & synonyms
2-Nitroquinoline18714-34-6Quinoline, 2-nitro-Quinoline, nitro-BRN 1283514SCHEMBL371826SCHEMBL8546205SCHEMBL8546207SCHEMBL28347674DTXSID80171984AKOS006278439DB-081632
Database identifiers
- CAS
18714-34-6- PubChem CID
- 87759
- DTXSID
DTXSID80171984- Nikkaji
- J36.453C
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 58.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 202
Physicochemical properties
- Melting point
- 125 °C · 125°C
- Boiling point
- 305.12 °C · 305.12°C (rough estimate)
- Density
- 1.219 · 1.2190 (estimate)
- refractive index
- 1.682 · 1.6820 (rough estimate)
- color
- Crystals from EtOH
- EWG's Food Scores
- 1 · 1
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers2 total
宁波季诺化学品有限公司0574-87314919 057487319282 · [email protected]
上海安米克化学品有限公司微信 18019252918 18019252918 · [email protected]
Related reactions
4 records
Compound notes
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