Basic information
- CAS
101756-37-0- Standard SMILES
N#CC(C#N)=Cc1cccc2c([N+](=O)[O-])cccc12- InChIKey
AFBYHNFGZKLUDZ-UHFFFAOYSA-N- Molecular formula
- C14H7N3O2
- Average molar mass
- 249.22 g/mol
- Monoisotopic mass
- 249.05382648
Names & identifiers
- Preferred name
- Malononitrile, (5-nitro-1-naphthyl)methylene-
- IUPAC
- 2-[(5-nitronaphthalen-1-yl)methylidene]propanedinitrile
Names & synonyms
(5-Nitro-1-naphthyl)methylenemalononitrileMALONONITRILE, (5-NITRO-1-NAPHTHYL)METHYLENE-(5-Nitro-1-naphthalenemethylene)malononitrile101756-37-0DTXSID30144168RefChem:351874DTXCID1066659[(5-nitronaphthalen-1-yl)methylidene]propanedinitrile
Database identifiers
- CAS
101756-37-0- PubChem CID
- 58856
- DTXSID
DTXSID30144168- Nikkaji
- J147.646G
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 93.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 470
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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