4-Chloro-5-nitronicotinonitrile
Basic information
- CAS
1707581-29-0- Standard SMILES
N#Cc1cncc([N+](=O)[O-])c1Cl- InChIKey
BOEIUZDSSDLANI-UHFFFAOYSA-N- Molecular formula
- C6H2ClN3O2
- Average molar mass
- 183.55 g/mol
- Monoisotopic mass
- 182.983554
Names & identifiers
- Preferred name
- 4-Chloro-5-nitronicotinonitrile
- IUPAC
- 4-chloro-5-nitropyridine-3-carbonitrile
- English name
- 4-Chloro-5-nitro-nicotinonitrile
- Molecular formula
- C6H2ClN3O2
- Molecular weight
- 183.55
Names & synonyms
4-Chloro-5-nitronicotinonitrile1707581-29-0DTXSID4012777174-Chloro-5-nitro-3-pyridinecarbonitrile4-Chloro-5-nitropyridine-3-carbonitrile4-Chloro-5-nitro-nicotinonitrile3-Pyridinecarbonitrile, 4-chloro-5-nitro-
Database identifiers
- CAS
1707581-29-0- PubChem CID
- 97617844
- DTXSID
DTXSID401277717
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 82.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 231
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Related reactions
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Compound notes
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