5-Nitro-1-naphthalenecarbonitrile
Basic information
- CAS
23245-64-9- Standard SMILES
N#Cc1cccc2c([N+](=O)[O-])cccc12- InChIKey
KBRVGIIHDCBSDO-UHFFFAOYSA-N- Molecular formula
- C11H6N2O2
- Average molar mass
- 198.18 g/mol
- Monoisotopic mass
- 198.04292744
Names & identifiers
- Preferred name
- 5-Nitro-1-naphthalenecarbonitrile
- IUPAC
- 5-nitronaphthalene-1-carbonitrile
- English name
- 5-Nitro-1-naphthalenecarbonitrile
- Molecular formula
- C11H6N2O2
- Molecular weight
- 198.18
Names & synonyms
23245-64-95-nitronaphthalene-1-carbonitrile5-Nitro-1-naphthalenecarbonitrile5-Nitro-1-naphthonitrile1-Naphthalenecarbonitrile, 5-nitro-1-NAPHTHONITRILE, 5-NITRO-KS79YW3MZAC11H6N2O2CCRIS 9110BRN 1966804UNII-KS79YW3MZA2-09-00-00452 (Beilstein Handbook Reference)
Show more names
Konazin1-Cyano-5-nitronaphthalene
SCHEMBL1343193DTXSID70177819YAA24564AKOS006278205DB-083622NITRO-1-NAPHTHALENECARBONITRILE, 5-EN300-7435337Z1198158032
Database identifiers
- CAS
23245-64-9- PubChem CID
- 31744
- DTXSID
DTXSID70177819- UNII
- KS79YW3MZA
- Nikkaji
- J2.766I
Properties
Computed structural properties
- XLogP
- 2.5
- 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
Experimental & physicochemical properties
SpringerMaterials Properties13C nuclear magnetic resonance spectrum
Physicochemical properties
- Melting point
- 197 °C · 197 °C
- Boiling point
- 390.7 · 390.7±17.0 °C(Predicted)
- Density
- 1.35 · 1.35±0.1 g/cm3(Predicted)
- FDA UNII
- 79 YW3MZA · KS79YW3MZA
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Compound notes
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