Basic information
- CAS
42076-10-8- Standard SMILES
O=C(Nc1c([N+](=O)[O-])cc2c3c(cccc13)CC2)c1ccccc1- InChIKey
UVVAXZXWJCYNON-UHFFFAOYSA-N- Molecular formula
- C19H14N2O3
- Average molar mass
- 318.3 g/mol
- Monoisotopic mass
- 318.10044231
Names & identifiers
- Preferred name
- n-(4-Nitro-1,2-dihydroacenaphthylen-5-yl)benzamide
- IUPAC
- N-(4-nitro-1,2-dihydroacenaphthylen-5-yl)benzamide
Names & synonyms
n-(4-nitro-1,2-dihydroacenaphthylen-5-yl)benzamide42076-10-8DTXSID60301580RefChem:362186DTXCID50252714NSC1444684-nitro-5-benzamidoacenaphtheneNSC-144468
Database identifiers
- CAS
42076-10-8- PubChem CID
- 286382
- DTXSID
DTXSID60301580
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 74.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 497
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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