Basic information
- CAS
23245-67-2- Standard SMILES
N#Cc1ccc2c([N+](=O)[O-])cccc2c1- InChIKey
YUUANIXNRRILDA-UHFFFAOYSA-N- Molecular formula
- C11H6N2O2
- Average molar mass
- 198.18 g/mol
- Monoisotopic mass
- 198.04292744
Names & identifiers
- Preferred name
- 2-Cyano-5-nitronaphthalene
- IUPAC
- 5-nitronaphthalene-2-carbonitrile
- English name
- 2-Cyano-5-nitronaphthalene
- Molecular formula
- C11H6N2O2
- Molecular weight
- 198.18
Names & synonyms
2-Cyano-5-nitronaphthalene5-nitronaphthalene-2-carbonitrile23245-67-25-Nitro-2-naphthonitrileSCHEMBL1344051DTXSID00332590DB-0836232-Naphthalenecarbonitrile, 5-nitro-
Database identifiers
- CAS
23245-67-2- PubChem CID
- 458977
- DTXSID
DTXSID00332590- Nikkaji
- J1.866.303A
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 69.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 301
Physicochemical properties
- Melting point
- 172 · 172-173 °C
- Boiling point
- 390.7 · 390.7±17.0 °C(Predicted)
- Density
- 1.35 · 1.35±0.1 g/cm3(Predicted)
Chemistry & industry
Suppliers1 total
SYNCHEM-OHG[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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