Basic information
- CAS
23245-63-8- Standard SMILES
N#Cc1ccc([N+](=O)[O-])c2ccccc12- InChIKey
SNUJXDIAMQLCNX-UHFFFAOYSA-N- Molecular formula
- C11H6N2O2
- Average molar mass
- 198.18 g/mol
- Monoisotopic mass
- 198.04292744
Names & identifiers
- Preferred name
- 4-Nitronaphthalene-1-carbonitrile
- IUPAC
- 4-nitronaphthalene-1-carbonitrile
- English name
- 1-Cyano-4-nitronaphthalene
- Molecular formula
- C11H6N2O2
- Molecular weight
- 198.18
Names & synonyms
23245-63-84-NITRONAPHTHALENE-1-CARBONITRILE4-nitro-1-naphthonitrileSCHEMBL1341782DTXSID20695376DB-0836211-Cyano-4-nitronaphthalene1-Naphthalenecarbonitrile, 4-nitro-
Database identifiers
- CAS
23245-63-8- PubChem CID
- 53404378
- DTXSID
DTXSID20695376- Nikkaji
- J1.735.684D
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
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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